3-(4-methoxy-2-oxidanyl-phenyl)carbonylbenzenesulfonic acid

Systemtic Name: 3-(4-methoxy-2-oxidanyl-phenyl)carbonylbenzenesulfonic acid Openeye Name: 3-(2-hydroxy-4-methoxy-benzoyl)benzenesulfonic acid CAS Name: 3-[(2-hydroxy-4-methoxyphenyl)-oxomethyl]benzenesulfonic acid IUPAC Name: 3-(2-hydroxy-4-methoxybenzoyl)benzenesulfonic acid Traditional Name: 3-(2-hydroxy-4-methoxy-benzoyl)besylic acid Formula: C14H12O6S MolecularWeight: 308.30648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)O)O

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)O)O

InChI

InChI=1S/C14H12O6S/c1-20-10-5-6-12(13(15)8-10)14(16)9-3-2-4-11(7-9)21(17,18)19/h2-8,15H,1H3,(H,17,18,19)