methyl 3,4,5-tris(oxidanyl)-2,6-bis(phenylsulfanyl)benzoate

Systemtic Name: methyl 3,4,5-tris(oxidanyl)-2,6-bis(phenylsulfanyl)benzoate Openeye Name: methyl 3,4,5-trihydroxy-2,6-bis(phenylsulfanyl)benzoate CAS Name: 3,4,5-trihydroxy-2,6-bis(phenylthio)benzoic acid methyl ester IUPAC Name: methyl 3,4,5-trihydroxy-2,6-bis(phenylsulfanyl)benzoate Traditional Name: 3,4,5-trihydroxy-2,6-bis(phenylthio)benzoic acid methyl ester Formula: C20H16O5S2 MolecularWeight: 400.46804

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(C(=C1SC2=CC=CC=C2)O)O)O)SC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C(=C(C(=C1SC2=CC=CC=C2)O)O)O)SC3=CC=CC=C3

InChI

InChI=1S/C20H16O5S2/c1-25-20(24)14-18(26-12-8-4-2-5-9-12)16(22)15(21)17(23)19(14)27-13-10-6-3-7-11-13/h2-11,21-23H,1H3