Cas no 150099-94-8 (1,3-Benzenedicarboxylicacid, 5-sulfo-, 1,3-bis(2-hydroxyethyl) ester, lithium salt (1:1))
150099-94-8 structure
Product Name:1,3-Benzenedicarboxylicacid, 5-sulfo-, 1,3-bis(2-hydroxyethyl) ester, lithium salt (1:1)
CAS No:150099-94-8
MF:C12H13LiO9S
MW:340.232223272324
CID:232626
PubChem ID:23663391
Update Time:2025-04-19
1,3-Benzenedicarboxylicacid, 5-sulfo-, 1,3-bis(2-hydroxyethyl) ester, lithium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarboxylicacid, 5-sulfo-, 1,3-bis(2-hydroxyethyl) ester, lithium salt (1:1)
- lithium,3,5-bis(2-hydroxyethoxycarbonyl)benzenesulfonate
- 1,3-Benzenedicarboxylicacid, 5-sulfo-, 1,3-bis(2-hydroxyethyl) ester, monolithium salt (9CI)
- Bis(2-hydroxyethyl) 5-sulfoisophthalate lithium salt
- UNII-807R9C3H8J
- SCHEMBL434340
- DTXSID20893239
- 807R9C3H8J
- 1,3-Benzenedicarboxylic acid, 5-sulfo-, 1,3-bis(2-hydroxyethyl) ester, lithium salt (1:1)
- Q27269127
- lithium bis(2-hydroxyethyl) 5-sulfoisophthalate
- 1,3-Benzenedicarboxylic acid, 5-sulfo-, 1,3-bis(2-hydroxyethyl) ester, monolithium salt
- 150099-94-8
- 1,3-BENZENEDICARBOXYLIC ACID, 5-SULFO-, 1,3-BIS(2-HYDROXYETHYL)ESTER, MONOLITHIUM SALT
- NS00113568
-
- Inchi： 1S/C12H14O9S.Li/c13-1-3-20-11(15)8-5-9(12(16)21-4-2-14)7-10(6-8)22(17,18)19;/h5-7,13-14H,1-4H2,(H,17,18,19);/q;+1/p-1
- InChI Key： ZTFGVIAJMLPQOC-UHFFFAOYSA-M
- SMILES： S(C1C=C(C(=O)OCCO)C=C(C(=O)OCCO)C=1)(=O)(=O)[O-].[Li+]
Computed Properties
- Exact Mass: 340.04403160g/mol
- Monoisotopic Mass: 340.04403160g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 23
- Rotatable Bond Count: 9
- Complexity: 459
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 159?2
1,3-Benzenedicarboxylicacid, 5-sulfo-, 1,3-bis(2-hydroxyethyl) ester, lithium salt (1:1) Related Literature
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Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys., 2017,19, 17156-17166
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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