2-[1-(4-chlorophenyl)cyclohexa-2,4-dien-1-yl]sulfinyloctanoic acid

Systemtic Name: 2-[1-(4-chlorophenyl)cyclohexa-2,4-dien-1-yl]sulfinyloctanoic acid Openeye Name: 2-[1-(4-chlorophenyl)cyclohexa-2,4-dien-1-yl]sulfinyloctanoic acid CAS Name: 2-[[1-(4-chlorophenyl)-1-cyclohexa-2,4-dienyl]sulfinyl]octanoic acid IUPAC Name: 2-[1-(4-chlorophenyl)cyclohexa-2,4-dien-1-yl]sulfinyloctanoic acid Traditional Name: 2-[1-(4-chlorophenyl)cyclohexa-2,4-dien-1-yl]sulfinylcaprylic acid Formula: C20H25ClO3S MolecularWeight: 380.9287

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)S(=O)C1(CC=CC=C1)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCCC(C(=O)O)S(=O)C1(CC=CC=C1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H25ClO3S/c1-2-3-4-6-9-18(19(22)23)25(24)20(14-7-5-8-15-20)16-10-12-17(21)13-11-16/h5,7-8,10-14,18H,2-4,6,9,15H2,1H3,(H,22,23)