[2-methoxy-5-[2-(2-oxidanyl-5-phenylmethoxy-phenyl)sulfanylethanoyl]phenyl] 4-chloranylbenzoate

Systemtic Name: [2-methoxy-5-[2-(2-oxidanyl-5-phenylmethoxy-phenyl)sulfanylethanoyl]phenyl] 4-chloranylbenzoate Openeye Name: [5-[2-(5-benzyloxy-2-hydroxy-phenyl)sulfanylacetyl]-2-methoxy-phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [5-[2-[(2-hydroxy-5-phenylmethoxyphenyl)thio]-1-oxoethyl]-2-methoxyphenyl] ester IUPAC Name: [5-[2-(2-hydroxy-5-phenylmethoxyphenyl)sulfanylacetyl]-2-methoxyphenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [5-[2-[(5-benzoxy-2-hydroxy-phenyl)thio]acetyl]-2-methoxy-phenyl] ester Formula: C29H23ClO6S MolecularWeight: 535.00732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=C(C=CC(=C2)OCC3=CC=CC=C3)O)OC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=C(C=CC(=C2)OCC3=CC=CC=C3)O)OC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C29H23ClO6S/c1-34-26-14-9-21(15-27(26)36-29(33)20-7-10-22(30)11-8-20)25(32)18-37-28-16-23(12-13-24(28)31)35-17-19-5-3-2-4-6-19/h2-16,31H,17-18H2,1H3