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

Systemtic Name: 2-[(3,4-dimethylphenyl)sulfonyl-(4-phenylphenyl)methyl]-4-methyl-pentanoic acid Openeye Name: 2-[(3,4-dimethylphenyl)sulfonyl-(4-phenylphenyl)methyl]-4-methyl-pentanoic acid CAS Name: 2-[(3,4-dimethylphenyl)sulfonyl-(4-phenylphenyl)methyl]-4-methylpentanoic acid IUPAC Name: 2-[(3,4-dimethylphenyl)sulfonyl-(4-phenylphenyl)methyl]-4-methylpentanoic acid Traditional Name: 2-[(3,4-dimethylphenyl)sulfonyl-(4-phenylphenyl)methyl]-4-methyl-valeric acid Formula: C27H30O4S MolecularWeight: 450.5897

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C(C2=CC=C(C=C2)C3=CC=CC=C3)C(CC(C)C)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C(C2=CC=C(C=C2)C3=CC=CC=C3)C(CC(C)C)C(=O)O)C

InChI

InChI=1S/C27H30O4S/c1-18(2)16-25(27(28)29)26(32(30,31)24-15-10-19(3)20(4)17-24)23-13-11-22(12-14-23)21-8-6-5-7-9-21/h5-15,17-18,25-26H,16H2,1-4H3,(H,28,29)