methyl 3,4,5-tris(oxidanyl)-2-phenylsulfanyl-benzoate

Systemtic Name: methyl 3,4,5-tris(oxidanyl)-2-phenylsulfanyl-benzoate Openeye Name: methyl 3,4,5-trihydroxy-2-phenylsulfanyl-benzoate CAS Name: 3,4,5-trihydroxy-2-(phenylthio)benzoic acid methyl ester IUPAC Name: methyl 3,4,5-trihydroxy-2-phenylsulfanylbenzoate Traditional Name: 3,4,5-trihydroxy-2-(phenylthio)benzoic acid methyl ester Formula: C14H12O5S MolecularWeight: 292.30708

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C(=C1SC2=CC=CC=C2)O)O)O

Isomeric SMILES

COC(=O)C1=CC(=C(C(=C1SC2=CC=CC=C2)O)O)O

InChI

InChI=1S/C14H12O5S/c1-19-14(18)9-7-10(15)11(16)12(17)13(9)20-8-5-3-2-4-6-8/h2-7,15-17H,1H3