(3E,7E,11E)-4,8,12-trimethyl-2-phenylsulfanyl-1-propan-2-yl-cyclotetradeca-3,7,11-trien-1-ol

Systemtic Name: (3E,7E,11E)-4,8,12-trimethyl-2-phenylsulfanyl-1-propan-2-yl-cyclotetradeca-3,7,11-trien-1-ol Openeye Name: (3E,7E,11E)-1-isopropyl-4,8,12-trimethyl-2-phenylsulfanyl-cyclotetradeca-3,7,11-trien-1-ol CAS Name: (3E,7E,11E)-4,8,12-trimethyl-2-(phenylthio)-1-propan-2-yl-1-cyclotetradeca-3,7,11-trienol IUPAC Name: (3E,7E,11E)-4,8,12-trimethyl-2-phenylsulfanyl-1-propan-2-ylcyclotetradeca-3,7,11-trien-1-ol Traditional Name: (3E,7E,11E)-1-isopropyl-4,8,12-trimethyl-2-(phenylthio)cyclotetradeca-3,7,11-trien-1-ol Formula: C26H38OS MolecularWeight: 398.64432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CCCC(=CC(C(CCC(=CCC1)C)(C(C)C)O)SC2=CC=CC=C2)C

Isomeric SMILES

C/C/1=C\CC/C(=C/C(C(CC/C(=C/CC1)/C)(C(C)C)O)SC2=CC=CC=C2)/C

InChI

InChI=1S/C26H38OS/c1-20(2)26(27)18-17-22(4)13-9-11-21(3)12-10-14-23(5)19-25(26)28-24-15-7-6-8-16-24/h6-8,12-13,15-16,19-20,25,27H,9-11,14,17-18H2,1-5H3/b21-12+,22-13+,23-19+