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lithium(1-); propan-1-ol; 3-propoxycarbonyl-5-sulfo-benzoic acid

lithium(1-); propan-1-ol; 3-propoxycarbonyl-5-sulfo-benzoic acid

Systemtic Name:lithium(1-); propan-1-ol; 3-propoxycarbonyl-5-sulfo-benzoic acid
Openeye Name:lithium(1-); propan-1-ol; 3-propoxycarbonyl-5-sulfo-benzoic acid
CAS Name:lithium(1-); 3-[oxo(propoxy)methyl]-5-sulfobenzoic acid; 1-propanol
IUPAC Name:lithium(1-); propan-1-ol; 3-propoxycarbonyl-5-sulfobenzoic acid
Traditional Name:lithium(1-); propan-1-ol; 3-propoxycarbonyl-5-sulfo-benzoic acid
Formula: C14H18LiO8S-3
MolecularWeight: 353.29392
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Descriptors Computed from Structure

Canonical SMILES:

[Li-].[CH2-]CCO.[CH2-]CCOC(=O)C1=CC(=CC(=C1)C(=O)O)S(=O)(=O)O


Isomeric SMILES

[Li-].[CH2-]CCO.[CH2-]CCOC(=O)C1=CC(=CC(=C1)C(=O)O)S(=O)(=O)O


InChI

InChI=1S/C11H11O7S.C3H7O.Li/c1-2-3-18-11(14)8-4-7(10(12)13)5-9(6-8)19(15,16)17;1-2-3-4;/h4-6H,1-3H2,(H,12,13)(H,15,16,17);4H,1-3H2;/q3*-1


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