4-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-4-phenylsulfanyl-butanal

Systemtic Name: 4-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-4-phenylsulfanyl-butanal Openeye Name: 4-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)-4-phenylsulfanyl-butanal CAS Name: 4-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)-4-(phenylthio)butanal IUPAC Name: 4-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-4-phenylsulfanylbutanal Traditional Name: 4-(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)-4-(phenylthio)butyraldehyde Formula: C18H22O3S MolecularWeight: 318.43048

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(CCC=O)SC2=CC=CC=C2)O)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C(CCC=O)SC2=CC=CC=C2)O)C

InChI

InChI=1S/C18H22O3S/c1-18(2)11-14(20)17(15(21)12-18)16(9-6-10-19)22-13-7-4-3-5-8-13/h3-5,7-8,10,16,20H,6,9,11-12H2,1-2H3