(7Z)-8,12-dimethyl-5-phenylsulfanyl-trideca-7,11-dien-4-one

Systemtic Name: (7Z)-8,12-dimethyl-5-phenylsulfanyl-trideca-7,11-dien-4-one Openeye Name: (7Z)-8,12-dimethyl-5-phenylsulfanyl-trideca-7,11-dien-4-one CAS Name: (7Z)-8,12-dimethyl-5-(phenylthio)-4-trideca-7,11-dienone IUPAC Name: (7Z)-8,12-dimethyl-5-phenylsulfanyltrideca-7,11-dien-4-one Traditional Name: (7Z)-8,12-dimethyl-5-(phenylthio)trideca-7,11-dien-4-one Formula: C21H30OS MolecularWeight: 330.5273

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(CC=C(C)CCC=C(C)C)SC1=CC=CC=C1

Isomeric SMILES

CCCC(=O)C(C/C=C(/C)\CCC=C(C)C)SC1=CC=CC=C1

InChI

InChI=1S/C21H30OS/c1-5-10-20(22)21(23-19-13-7-6-8-14-19)16-15-18(4)12-9-11-17(2)3/h6-8,11,13-15,21H,5,9-10,12,16H2,1-4H3/b18-15-