4-methyl-2-[(4-phenylphenyl)methylsulfonyl]pentanoic acid

Systemtic Name: 4-methyl-2-[(4-phenylphenyl)methylsulfonyl]pentanoic acid Openeye Name: 4-methyl-2-[(4-phenylphenyl)methylsulfonyl]pentanoic acid CAS Name: 4-methyl-2-[(4-phenylphenyl)methylsulfonyl]pentanoic acid IUPAC Name: 4-methyl-2-[(4-phenylphenyl)methylsulfonyl]pentanoic acid Traditional Name: 4-methyl-2-(4-phenylbenzyl)sulfonyl-valeric acid Formula: C19H22O4S MolecularWeight: 346.44058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22O4S/c1-14(2)12-18(19(20)21)24(22,23)13-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,14,18H,12-13H2,1-2H3,(H,20,21)