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

Systemtic Name: 2-[(3,4-dimethoxyphenyl)sulfonyl-(3-phenylmethoxyphenyl)methyl]-5-phenyl-pentanoic acid Openeye Name: 2-[(3-benzyloxyphenyl)-(3,4-dimethoxyphenyl)sulfonyl-methyl]-5-phenyl-pentanoic acid CAS Name: 2-[(3,4-dimethoxyphenyl)sulfonyl-(3-phenylmethoxyphenyl)methyl]-5-phenylpentanoic acid IUPAC Name: 2-[(3,4-dimethoxyphenyl)sulfonyl-(3-phenylmethoxyphenyl)methyl]-5-phenylpentanoic acid Traditional Name: 2-[(3-benzoxyphenyl)-(3,4-dimethoxyphenyl)sulfonyl-methyl]-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)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C(CCCC4=CC=CC=C4)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C(CCCC4=CC=CC=C4)C(=O)O)OC

InChI

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