ethanoic acid; 2-[4-(2-methylpropyl)phenyl]sulfanylcyclohexan-1-one

Systemtic Name: ethanoic acid; 2-[4-(2-methylpropyl)phenyl]sulfanylcyclohexan-1-one Openeye Name: acetic acid; 2-(4-isobutylphenyl)sulfanylcyclohexanone CAS Name: acetic acid; 2-[[4-(2-methylpropyl)phenyl]thio]-1-cyclohexanone IUPAC Name: acetic acid; 2-[4-(2-methylpropyl)phenyl]sulfanylcyclohexan-1-one Traditional Name: acetic acid; 2-[(4-isobutylphenyl)thio]cyclohexanone Formula: C18H26O3S MolecularWeight: 322.46224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)SC2CCCCC2=O.CC(=O)O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)SC2CCCCC2=O.CC(=O)O

InChI

InChI=1S/C16H22OS.C2H4O2/c1-12(2)11-13-7-9-14(10-8-13)18-16-6-4-3-5-15(16)17;1-2(3)4/h7-10,12,16H,3-6,11H2,1-2H3;1H3,(H,3,4)