(2E,6Z)-3,7,11-trimethyl-4-phenylsulfanyl-dodeca-2,6,10-trien-1-ol

Systemtic Name: (2E,6Z)-3,7,11-trimethyl-4-phenylsulfanyl-dodeca-2,6,10-trien-1-ol Openeye Name: (2E,6Z)-3,7,11-trimethyl-4-phenylsulfanyl-dodeca-2,6,10-trien-1-ol CAS Name: (2E,6Z)-3,7,11-trimethyl-4-(phenylthio)-1-dodeca-2,6,10-trienol IUPAC Name: (2E,6Z)-3,7,11-trimethyl-4-phenylsulfanyldodeca-2,6,10-trien-1-ol Traditional Name: (2E,6Z)-3,7,11-trimethyl-4-(phenylthio)dodeca-2,6,10-trien-1-ol Formula: C21H30OS MolecularWeight: 330.5273

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=CCC/C(=C\CC(/C(=C/CO)/C)SC1=CC=CC=C1)/C)C

InChI

InChI=1S/C21H30OS/c1-17(2)9-8-10-18(3)13-14-21(19(4)15-16-22)23-20-11-6-5-7-12-20/h5-7,9,11-13,15,21-22H,8,10,14,16H2,1-4H3/b18-13-,19-15+