2,4-dimethylbenzoic acid; 2,2-dimethyl-3-[(E)-1-(4-methylphenyl)sulfinyloct-2-enyl]cyclopentan-1-one

Systemtic Name: 2,4-dimethylbenzoic acid; 2,2-dimethyl-3-[(E)-1-(4-methylphenyl)sulfinyloct-2-enyl]cyclopentan-1-one Openeye Name: 2,4-dimethylbenzoic acid; 2,2-dimethyl-3-[(E)-1-(p-tolylsulfinyl)oct-2-enyl]cyclopentanone CAS Name: 2,4-dimethylbenzoic acid; 2,2-dimethyl-3-[(E)-1-(4-methylphenyl)sulfinyloct-2-enyl]-1-cyclopentanone IUPAC Name: 2,4-dimethylbenzoic acid; 2,2-dimethyl-3-[(E)-1-(4-methylphenyl)sulfinyloct-2-enyl]cyclopentan-1-one Traditional Name: 2,2-dimethyl-3-[(E)-1-(p-tolylsulfinyl)oct-2-enyl]cyclopentanone; 2,4-xylic acid Formula: C31H42O4S MolecularWeight: 510.72778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CC(C1CCC(=O)C1(C)C)S(=O)C2=CC=C(C=C2)C.CC1=CC(=C(C=C1)C(=O)O)C

Isomeric SMILES

CCCCC/C=C/C(C1CCC(=O)C1(C)C)S(=O)C2=CC=C(C=C2)C.CC1=CC(=C(C=C1)C(=O)O)C

InChI

InChI=1S/C22H32O2S.C9H10O2/c1-5-6-7-8-9-10-20(19-15-16-21(23)22(19,3)4)25(24)18-13-11-17(2)12-14-18;1-6-3-4-8(9(10)11)7(2)5-6/h9-14,19-20H,5-8,15-16H2,1-4H3;3-5H,1-2H3,(H,10,11)/b10-9+;