2-[3-(hydroxymethyl)-4-phenylmethoxy-phenyl]-3,6-dimethoxy-5-(4-methylsulfonyloxyphenyl)benzoic acid

Systemtic Name: 2-[3-(hydroxymethyl)-4-phenylmethoxy-phenyl]-3,6-dimethoxy-5-(4-methylsulfonyloxyphenyl)benzoic acid Openeye Name: 2-[4-benzyloxy-3-(hydroxymethyl)phenyl]-3,6-dimethoxy-5-(4-methylsulfonyloxyphenyl)benzoic acid CAS Name: 2-[3-(hydroxymethyl)-4-phenylmethoxyphenyl]-3,6-dimethoxy-5-(4-methylsulfonyloxyphenyl)benzoic acid IUPAC Name: 2-[3-(hydroxymethyl)-4-phenylmethoxyphenyl]-3,6-dimethoxy-5-(4-methylsulfonyloxyphenyl)benzoic acid Traditional Name: 2-(4-benzoxy-3-methylol-phenyl)-3,6-dimethoxy-5-(4-methylsulfonyloxyphenyl)benzoic acid Formula: C30H28O9S MolecularWeight: 564.60292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)OS(=O)(=O)C)OC)C(=O)O)C3=CC(=C(C=C3)OCC4=CC=CC=C4)CO

Isomeric SMILES

COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)OS(=O)(=O)C)OC)C(=O)O)C3=CC(=C(C=C3)OCC4=CC=CC=C4)CO

InChI

InChI=1S/C30H28O9S/c1-36-26-16-24(20-9-12-23(13-10-20)39-40(3,34)35)29(37-2)28(30(32)33)27(26)21-11-14-25(22(15-21)17-31)38-18-19-7-5-4-6-8-19/h4-16,31H,17-18H2,1-3H3,(H,32,33)