Cas no 13000-39-0 (2,7-Naphthalenedisulfonicacid,4-[2-[4-[2-(3,6-disulfo-1-naphthalenyl)diazenyl]-7-sulfo-1-naphthalenyl]diazenyl]-3-hydroxy-,sodium salt (1:5))
13000-39-0 structure
Product Name:2,7-Naphthalenedisulfonicacid,4-[2-[4-[2-(3,6-disulfo-1-naphthalenyl)diazenyl]-7-sulfo-1-naphthalenyl]diazenyl]-3-hydroxy-,sodium salt (1:5)
CAS No:13000-39-0
MF:C30H15N4Na5O16S5
MW:962.731155633926
CID:200589
PubChem ID:135755603
Update Time:2025-04-19
2,7-Naphthalenedisulfonicacid,4-[2-[4-[2-(3,6-disulfo-1-naphthalenyl)diazenyl]-7-sulfo-1-naphthalenyl]diazenyl]-3-hydroxy-,sodium salt (1:5) Chemical and Physical Properties
Names and Identifiers
-
- 2,7-Naphthalenedisulfonicacid,4-[2-[4-[2-(3,6-disulfo-1-naphthalenyl)diazenyl]-7-sulfo-1-naphthalenyl]diazenyl]-3-hydroxy-,sodium salt (1:5)
- 2,7-Naphthalenedisulfonicacid,4-[2-[4-[2-(3,6-disulfo-1-naphthalenyl)diazenyl]-7-sulfo-1-napht...
- 2,7-Naphthalenedisulfonicacid,4-[2-[4-[2-(3,6-disulfo-1-naphthalenyl)diazenyl]-7-sulfo-1-naphthalenyl]diazenyl]-3-hydroxy-,so
- pentasodium 4-[[4-[(3,6-disulphonato-1-naphthyl)azo]-7-sulphonato-1-naphthyl]azo]-3-hydroxynaphthalene-2,7-disulphonate
- Pentasodium 4-((4-((3,6-disulphonato-1-naphthyl)azo)-7-sulphonato-1-naphthyl)azo)-3-hydroxynaphthalene-2,7-disulphonate
- pentasodium 4-[(E)-{4-[(2Z)-2-(2-oxo-3,6-disulfonatonaphthalen-1(2H)-ylidene)hydrazinyl]-6-sulfonatonaphthalen-1-yl}diazenyl]naphthalene-2,7-disulfonate
- Pentasodium 4-[[4-[(3,6-disulfonato-1-naphthyl)azo]-7-sulfonato-1-naphthyl]azo]-3-hydroxynaphthalene-2,7-disulfonate
- 4-[[4-[(3,6-Disulfo-1-naphthalenyl)azo]-7-sulfo-1-naphthalenyl]azo]-3-hydroxy-2,7-naphthalenedisulfonic acid pentasodium salt
- 13000-39-0
- EINECS 235-830-4
- NS00052550
- AKOS000282997
-
- Inchi: 1S/C30H20N4O16S5.5Na/c35-30-28(55(48,49)50)12-16-10-18(52(39,40)41)2-5-22(16)29(30)34-32-26-8-7-25(23-6-3-19(13-24(23)26)53(42,43)44)31-33-27-14-20(54(45,46)47)11-15-9-17(51(36,37)38)1-4-21(15)27;;;;;/h1-14,35H,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50);;;;;/q;5*+1/p-5/b33-31+,34-32+;;;;;
- InChI Key: GIIFZDMQWSRMKA-IALQXBNOSA-I
- SMILES: S(C1C(=C(C2C=CC(=CC=2C=1)S(=O)(=O)[O-])/N=N/C1=CC=C(C2=CC=C(C=C21)S(=O)(=O)[O-])/N=N/C1=CC(=CC2C=C(C=CC=21)S(=O)(=O)[O-])S(=O)(=O)[O-])O)(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]
Computed Properties
- Exact Mass: 961.85775
- Monoisotopic Mass: 961.857507
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 20
- Heavy Atom Count: 60
- Rotatable Bond Count: 4
- Complexity: 2100
- Covalently-Bonded Unit Count: 6
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 394
Experimental Properties
- PSA: 352.18
2,7-Naphthalenedisulfonicacid,4-[2-[4-[2-(3,6-disulfo-1-naphthalenyl)diazenyl]-7-sulfo-1-naphthalenyl]diazenyl]-3-hydroxy-,sodium salt (1:5) Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
13000-39-0 (2,7-Naphthalenedisulfonicacid,4-[2-[4-[2-(3,6-disulfo-1-naphthalenyl)diazenyl]-7-sulfo-1-naphthalenyl]diazenyl]-3-hydroxy-,sodium salt (1:5)) Related Products
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