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

Systemtic Name: 2-[(3,4-dimethoxyphenyl)sulfonyl-(4-phenylphenyl)methyl]-4-methyl-pentanoic acid Openeye Name: 2-[(3,4-dimethoxyphenyl)sulfonyl-(4-phenylphenyl)methyl]-4-methyl-pentanoic acid CAS Name: 2-[(3,4-dimethoxyphenyl)sulfonyl-(4-phenylphenyl)methyl]-4-methylpentanoic acid IUPAC Name: 2-[(3,4-dimethoxyphenyl)sulfonyl-(4-phenylphenyl)methyl]-4-methylpentanoic acid Traditional Name: 2-[(3,4-dimethoxyphenyl)sulfonyl-(4-phenylphenyl)methyl]-4-methyl-valeric acid Formula: C27H30O6S MolecularWeight: 482.5885

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C1=CC=C(C=C1)C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC)C(=O)O

Isomeric SMILES

CC(C)CC(C(C1=CC=C(C=C1)C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC)C(=O)O

InChI

InChI=1S/C27H30O6S/c1-18(2)16-23(27(28)29)26(21-12-10-20(11-13-21)19-8-6-5-7-9-19)34(30,31)22-14-15-24(32-3)25(17-22)33-4/h5-15,17-18,23,26H,16H2,1-4H3,(H,28,29)