2-(4-methoxy-3-sulfo-phenyl)ethanoic acid

Systemtic Name: 2-(4-methoxy-3-sulfo-phenyl)ethanoic acid Openeye Name: 2-(4-methoxy-3-sulfo-phenyl)acetic acid CAS Name: 2-(4-methoxy-3-sulfophenyl)acetic acid IUPAC Name: 2-(4-methoxy-3-sulfophenyl)acetic acid Traditional Name: 2-(4-methoxy-3-sulfo-phenyl)acetic acid Formula: C9H10O6S MolecularWeight: 246.2371

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)O)S(=O)(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)O)S(=O)(=O)O

InChI

InChI=1S/C9H10O6S/c1-15-7-3-2-6(5-9(10)11)4-8(7)16(12,13)14/h2-4H,5H2,1H3,(H,10,11)(H,12,13,14)