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

Systemtic Name: 2-[(3,4-dimethoxyphenyl)sulfonyl-(4-phenylphenyl)methyl]-5-phenyl-pentanoic acid Openeye Name: 2-[(3,4-dimethoxyphenyl)sulfonyl-(4-phenylphenyl)methyl]-5-phenyl-pentanoic acid CAS Name: 2-[(3,4-dimethoxyphenyl)sulfonyl-(4-phenylphenyl)methyl]-5-phenylpentanoic acid IUPAC Name: 2-[(3,4-dimethoxyphenyl)sulfonyl-(4-phenylphenyl)methyl]-5-phenylpentanoic acid Traditional Name: 2-[(3,4-dimethoxyphenyl)sulfonyl-(4-phenylphenyl)methyl]-5-phenyl-valeric acid Formula: C32H32O6S MolecularWeight: 544.65788

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C32H32O6S/c1-37-29-21-20-27(22-30(29)38-2)39(35,36)31(26-18-16-25(17-19-26)24-13-7-4-8-14-24)28(32(33)34)15-9-12-23-10-5-3-6-11-23/h3-8,10-11,13-14,16-22,28,31H,9,12,15H2,1-2H3,(H,33,34)