2-[(3,4-dimethoxyphenyl)sulfonylmethyl]-5-phenyl-2-(3-phenylmethoxyphenyl)pentanoic acid

Systemtic Name: 2-[(3,4-dimethoxyphenyl)sulfonylmethyl]-5-phenyl-2-(3-phenylmethoxyphenyl)pentanoic acid Openeye Name: 2-(3-benzyloxyphenyl)-2-[(3,4-dimethoxyphenyl)sulfonylmethyl]-5-phenyl-pentanoic acid CAS Name: 2-[(3,4-dimethoxyphenyl)sulfonylmethyl]-5-phenyl-2-(3-phenylmethoxyphenyl)pentanoic acid IUPAC Name: 2-[(3,4-dimethoxyphenyl)sulfonylmethyl]-5-phenyl-2-(3-phenylmethoxyphenyl)pentanoic acid Traditional Name: 2-(3-benzoxyphenyl)-2-[(3,4-dimethoxyphenyl)sulfonylmethyl]-5-phenyl-valeric acid Formula: C33H34O7S MolecularWeight: 574.68386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)CC(CCCC2=CC=CC=C2)(C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)CC(CCCC2=CC=CC=C2)(C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)O)OC

InChI

InChI=1S/C33H34O7S/c1-38-30-19-18-29(22-31(30)39-2)41(36,37)24-33(32(34)35,20-10-15-25-11-5-3-6-12-25)27-16-9-17-28(21-27)40-23-26-13-7-4-8-14-26/h3-9,11-14,16-19,21-22H,10,15,20,23-24H2,1-2H3,(H,34,35)