4-[(Z)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-enyl]sulfanylbenzaldehyde

Systemtic Name: 4-[(Z)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-enyl]sulfanylbenzaldehyde Openeye Name: 4-[(Z)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-enyl]sulfanylbenzaldehyde CAS Name: 4-[[(Z)-2-methyl-4-(2,6,6-trimethyl-1-cyclohexenyl)but-2-enyl]thio]benzaldehyde IUPAC Name: 4-[(Z)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-enyl]sulfanylbenzaldehyde Traditional Name: 4-[[(Z)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-enyl]thio]benzaldehyde Formula: C21H28OS MolecularWeight: 328.51142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)CC=C(C)CSC2=CC=C(C=C2)C=O

Isomeric SMILES

CC1=C(C(CCC1)(C)C)C/C=C(/C)\CSC2=CC=C(C=C2)C=O

InChI

InChI=1S/C21H28OS/c1-16(15-23-19-10-8-18(14-22)9-11-19)7-12-20-17(2)6-5-13-21(20,3)4/h7-11,14H,5-6,12-13,15H2,1-4H3/b16-7-