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lithium; 3,5-bis(2-hydroxyethyloxycarbonyl)benzenesulfonate; ethane-1,2-diol; terephthalic acid

lithium; 3,5-bis(2-hydroxyethyloxycarbonyl)benzenesulfonate; ethane-1,2-diol; terephthalic acid

Systemtic Name:lithium; 3,5-bis(2-hydroxyethyloxycarbonyl)benzenesulfonate; ethane-1,2-diol; terephthalic acid
Openeye Name:lithium; 3,5-bis(2-hydroxyethoxycarbonyl)benzenesulfonate; ethylene glycol; terephthalic acid
CAS Name:lithium; 3,5-bis[2-hydroxyethoxy(oxo)methyl]benzenesulfonate; ethane-1,2-diol; terephthalic acid
IUPAC Name:lithium; 3,5-bis(2-hydroxyethoxycarbonyl)benzenesulfonate; ethane-1,2-diol; terephthalic acid
Traditional Name:lithium; 3,5-bis(2-hydroxyethoxycarbonyl)besylate; ethylene glycol; terephthalic acid
Formula: C22H25LiO15S
MolecularWeight: 568.4309
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Descriptors Computed from Structure

Canonical SMILES:

[Li+].C1=CC(=CC=C1C(=O)O)C(=O)O.C1=C(C=C(C=C1C(=O)OCCO)S(=O)(=O)[O-])C(=O)OCCO.C(CO)O


Isomeric SMILES

[Li+].C1=CC(=CC=C1C(=O)O)C(=O)O.C1=C(C=C(C=C1C(=O)OCCO)S(=O)(=O)[O-])C(=O)OCCO.C(CO)O


InChI

InChI=1S/C12H14O9S.C8H6O4.C2H6O2.Li/c13-1-3-20-11(15)8-5-9(12(16)21-4-2-14)7-10(6-8)22(17,18)19;9-7(10)5-1-2-6(4-3-5)8(11)12;3-1-2-4;/h5-7,13-14H,1-4H2,(H,17,18,19);1-4H,(H,9,10)(H,11,12);3-4H,1-2H2;/q;;;+1/p-1


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