ethanol; 3-ethoxycarbonyl-5-sulfo-benzoic acid; lithium(1-)

Systemtic Name: ethanol; 3-ethoxycarbonyl-5-sulfo-benzoic acid; lithium(1-) Openeye Name: ethanol; 3-ethoxycarbonyl-5-sulfo-benzoic acid; lithium(1-) CAS Name: ethanol; 3-[ethoxy(oxo)methyl]-5-sulfobenzoic acid; lithium(1-) IUPAC Name: ethanol; 3-ethoxycarbonyl-5-sulfobenzoic acid; lithium(1-) Traditional Name: ethanol; 3-ethoxycarbonyl-5-sulfo-benzoic acid; lithium(1-) Formula: C12H14LiO8S-3 MolecularWeight: 325.24076

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Descriptors Computed from Structure

Canonical SMILES:

[Li-].[CH2-]CO.[CH2-]COC(=O)C1=CC(=CC(=C1)C(=O)O)S(=O)(=O)O

Isomeric SMILES

[Li-].[CH2-]CO.[CH2-]COC(=O)C1=CC(=CC(=C1)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C10H9O7S.C2H5O.Li/c1-2-17-10(13)7-3-6(9(11)12)4-8(5-7)18(14,15)16;1-2-3;/h3-5H,1-2H2,(H,11,12)(H,14,15,16);3H,1-2H2;/q3*-1