3-methoxy-2-(2-oxidanyl-3-sulfo-propoxy)benzoic acid

Systemtic Name: 3-methoxy-2-(2-oxidanyl-3-sulfo-propoxy)benzoic acid Openeye Name: 2-(2-hydroxy-3-sulfo-propoxy)-3-methoxy-benzoic acid CAS Name: 2-(2-hydroxy-3-sulfopropoxy)-3-methoxybenzoic acid IUPAC Name: 2-(2-hydroxy-3-sulfopropoxy)-3-methoxybenzoic acid Traditional Name: 2-(2-hydroxy-3-sulfo-propoxy)-3-methoxy-benzoic acid Formula: C11H14O8S MolecularWeight: 306.28906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC(CS(=O)(=O)O)O)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OCC(CS(=O)(=O)O)O)C(=O)O

InChI

InChI=1S/C11H14O8S/c1-18-9-4-2-3-8(11(13)14)10(9)19-5-7(12)6-20(15,16)17/h2-4,7,12H,5-6H2,1H3,(H,13,14)(H,15,16,17)