4-[2-(cyclohexen-1-yl)-2-methyl-3-sulfanylidene-propyl]benzoic acid

Systemtic Name: 4-[2-(cyclohexen-1-yl)-2-methyl-3-sulfanylidene-propyl]benzoic acid Openeye Name: 4-[2-(cyclohexen-1-yl)-2-methyl-3-thioxo-propyl]benzoic acid CAS Name: 4-[2-(1-cyclohexenyl)-2-methyl-3-sulfanylidenepropyl]benzoic acid IUPAC Name: 4-[2-(cyclohexen-1-yl)-2-methyl-3-sulfanylidenepropyl]benzoic acid Traditional Name: 4-[2-(cyclohexen-1-yl)-2-methyl-3-thioxo-propyl]benzoic acid Formula: C17H20O2S MolecularWeight: 288.4045

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C(=O)O)(C=S)C2=CCCCC2

Isomeric SMILES

CC(CC1=CC=C(C=C1)C(=O)O)(C=S)C2=CCCCC2

InChI

InChI=1S/C17H20O2S/c1-17(12-20,15-5-3-2-4-6-15)11-13-7-9-14(10-8-13)16(18)19/h5,7-10,12H,2-4,6,11H2,1H3,(H,18,19)