Cas no 15702-62-2 (Cuprate(2-),bis[8-(hydroxy-kO)-5-quinolinesulfonato(2-)-kN1]-, dihydrogen (9CI))
15702-62-2 structure
Product Name:Cuprate(2-),bis[8-(hydroxy-kO)-5-quinolinesulfonato(2-)-kN1]-, dihydrogen (9CI)
CAS No:15702-62-2
MF:C18H12CuN2O8S2
MW:511.972483634949
CID:208122
PubChem ID:190214
Update Time:2025-04-19
Cuprate(2-),bis[8-(hydroxy-kO)-5-quinolinesulfonato(2-)-kN1]-, dihydrogen (9CI) Chemical and Physical Properties
Names and Identifiers
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- Cuprate(2-),bis[8-(hydroxy-kO)-5-quinolinesulfonato(2-)-kN1]-, dihydrogen (9CI)
- Copper, bis(hydrogen 8-hydroxy-5-quinolinesulfonato)-
- 15702-62-2
- Bis(hydrogen 8-hydroxy-5-quinolinesulfonato)copper
- Cuprate(2-), bis(8-(hydroxy-kappaO)-5-quinolinesulfonato(2-)-kappaN1)-, dihydrogen
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- Inchi: 1S/2C9H7NO4S.Cu/c2*11-7-3-4-8(15(12,13)14)6-2-1-5-10-9(6)7;/h2*1-5,11H,(H,12,13,14);/q;;+2/p-2
- InChI Key: TWNFAXBNXXWFEW-UHFFFAOYSA-L
- SMILES: [Cu+2].S(C1=CC=C(C2C1=CC=CN=2)[O-])(=O)(=O)[O-].S(C1=CC=C(C2C1=CC=CN=2)[O-])(=O)(=O)[O-].[H+].[H+]
Computed Properties
- Exact Mass: 510.93316
- Monoisotopic Mass: 510.933
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 31
- Rotatable Bond Count: 0
- Complexity: 310
- Covalently-Bonded Unit Count: 5
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 203?2
Experimental Properties
- PSA: 186.3
Cuprate(2-),bis[8-(hydroxy-kO)-5-quinolinesulfonato(2-)-kN1]-, dihydrogen (9CI) Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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