2-(4-acetyloxyphenyl)-3,6-dimethoxy-5-(3-methylsulfonyloxy-4-phenylmethoxy-phenyl)benzoic acid

Systemtic Name: 2-(4-acetyloxyphenyl)-3,6-dimethoxy-5-(3-methylsulfonyloxy-4-phenylmethoxy-phenyl)benzoic acid Openeye Name: 2-(4-acetoxyphenyl)-5-(4-benzyloxy-3-methylsulfonyloxy-phenyl)-3,6-dimethoxy-benzoic acid CAS Name: 2-(4-acetyloxyphenyl)-3,6-dimethoxy-5-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)benzoic acid IUPAC Name: 2-(4-acetyloxyphenyl)-3,6-dimethoxy-5-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)benzoic acid Traditional Name: 2-(4-acetoxyphenyl)-5-(4-benzoxy-3-methylsulfonyloxy-phenyl)-3,6-dimethoxy-benzoic acid Formula: C31H28O10S MolecularWeight: 592.61302

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C2=C(C=C(C(=C2C(=O)O)OC)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OS(=O)(=O)C)OC

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C2=C(C=C(C(=C2C(=O)O)OC)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OS(=O)(=O)C)OC

InChI

InChI=1S/C31H28O10S/c1-19(32)40-23-13-10-21(11-14-23)28-27(37-2)17-24(30(38-3)29(28)31(33)34)22-12-15-25(26(16-22)41-42(4,35)36)39-18-20-8-6-5-7-9-20/h5-17H,18H2,1-4H3,(H,33,34)