(1E,3S,4S,5Z)-5-hexylsulfanyl-4-methyl-1-phenyl-hepta-1,5-dien-3-ol

Systemtic Name: (1E,3S,4S,5Z)-5-hexylsulfanyl-4-methyl-1-phenyl-hepta-1,5-dien-3-ol Openeye Name: (1E,3S,4S,5Z)-5-hexylsulfanyl-4-methyl-1-phenyl-hepta-1,5-dien-3-ol CAS Name: (1E,3S,4S,5Z)-5-(hexylthio)-4-methyl-1-phenyl-3-hepta-1,5-dienol IUPAC Name: (1E,3S,4S,5Z)-5-hexylsulfanyl-4-methyl-1-phenylhepta-1,5-dien-3-ol Traditional Name: (1E,3S,4S,5Z)-5-(hexylthio)-4-methyl-1-phenyl-hepta-1,5-dien-3-ol Formula: C20H30OS MolecularWeight: 318.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC(=CC)C(C)C(C=CC1=CC=CC=C1)O

Isomeric SMILES

CCCCCCS/C(=C\C)/[C@@H](C)[C@H](/C=C/C1=CC=CC=C1)O

InChI

InChI=1S/C20H30OS/c1-4-6-7-11-16-22-20(5-2)17(3)19(21)15-14-18-12-9-8-10-13-18/h5,8-10,12-15,17,19,21H,4,6-7,11,16H2,1-3H3/b15-14+,20-5-/t17-,19-/m0/s1