2,5-dimethyl-4-(2-oxidanylidenecyclohexyl)sulfanyl-benzoic acid

Systemtic Name: 2,5-dimethyl-4-(2-oxidanylidenecyclohexyl)sulfanyl-benzoic acid Openeye Name: 2,5-dimethyl-4-(2-oxocyclohexyl)sulfanyl-benzoic acid CAS Name: 2,5-dimethyl-4-[(2-oxocyclohexyl)thio]benzoic acid IUPAC Name: 2,5-dimethyl-4-(2-oxocyclohexyl)sulfanylbenzoic acid Traditional Name: 4-[(2-ketocyclohexyl)thio]-2,5-dimethyl-benzoic acid Formula: C15H18O3S MolecularWeight: 278.36662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)C)SC2CCCCC2=O

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)C)SC2CCCCC2=O

InChI

InChI=1S/C15H18O3S/c1-9-8-14(10(2)7-11(9)15(17)18)19-13-6-4-3-5-12(13)16/h7-8,13H,3-6H2,1-2H3,(H,17,18)