2-(5-methoxy-2-sulfino-phenyl)ethanoic acid

Systemtic Name: 2-(5-methoxy-2-sulfino-phenyl)ethanoic acid Openeye Name: 2-(5-methoxy-2-sulfino-phenyl)acetic acid CAS Name: 2-(5-methoxy-2-sulfinophenyl)acetic acid IUPAC Name: 2-(5-methoxy-2-sulfinophenyl)acetic acid Traditional Name: 2-(5-methoxy-2-sulfino-phenyl)acetic acid Formula: C9H10O5S MolecularWeight: 230.2377

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10O5S/c1-14-7-2-3-8(15(12)13)6(4-7)5-9(10)11/h2-4H,5H2,1H3,(H,10,11)(H,12,13)