7-methyl-6-methylsulfonyl-6-phenyl-octanoic acid

Systemtic Name: 7-methyl-6-methylsulfonyl-6-phenyl-octanoic acid Openeye Name: 7-methyl-6-methylsulfonyl-6-phenyl-octanoic acid CAS Name: 7-methyl-6-methylsulfonyl-6-phenyloctanoic acid IUPAC Name: 7-methyl-6-methylsulfonyl-6-phenyloctanoic acid Traditional Name: 6-mesyl-7-methyl-6-phenyl-caprylic acid Formula: C16H24O4S MolecularWeight: 312.42436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCCC(=O)O)(C1=CC=CC=C1)S(=O)(=O)C

Isomeric SMILES

CC(C)C(CCCCC(=O)O)(C1=CC=CC=C1)S(=O)(=O)C

InChI

InChI=1S/C16H24O4S/c1-13(2)16(21(3,19)20,12-8-7-11-15(17)18)14-9-5-4-6-10-14/h4-6,9-10,13H,7-8,11-12H2,1-3H3,(H,17,18)