(phenylmethyl) 4-oxidanyl-3-(2-oxidanyl-5-phenylmethoxycarbonyl-phenyl)sulfanyl-benzoate

Systemtic Name: (phenylmethyl) 4-oxidanyl-3-(2-oxidanyl-5-phenylmethoxycarbonyl-phenyl)sulfanyl-benzoate Openeye Name: benzyl 3-(5-benzyloxycarbonyl-2-hydroxy-phenyl)sulfanyl-4-hydroxy-benzoate CAS Name: 4-hydroxy-3-[(2-hydroxy-5-phenylmethoxycarbonylphenyl)thio]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-hydroxy-3-(2-hydroxy-5-phenylmethoxycarbonylphenyl)sulfanylbenzoate Traditional Name: 3-[(5-carbobenzoxy-2-hydroxy-phenyl)thio]-4-hydroxy-benzoic acid benzyl ester Formula: C28H22O6S MolecularWeight: 486.53568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2)O)SC3=C(C=CC(=C3)C(=O)OCC4=CC=CC=C4)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2)O)SC3=C(C=CC(=C3)C(=O)OCC4=CC=CC=C4)O

InChI

InChI=1S/C28H22O6S/c29-23-13-11-21(27(31)33-17-19-7-3-1-4-8-19)15-25(23)35-26-16-22(12-14-24(26)30)28(32)34-18-20-9-5-2-6-10-20/h1-16,29-30H,17-18H2