[4-[1-(3,7-dimethyloct-6-enylsulfanyl)-3,7-dimethyl-oct-6-enyl]-3-oxidanyl-phenyl] ethanoate

Systemtic Name: [4-[1-(3,7-dimethyloct-6-enylsulfanyl)-3,7-dimethyl-oct-6-enyl]-3-oxidanyl-phenyl] ethanoate Openeye Name: [4-[1-(3,7-dimethyloct-6-enylsulfanyl)-3,7-dimethyl-oct-6-enyl]-3-hydroxy-phenyl] acetate CAS Name: acetic acid [4-[1-(3,7-dimethyloct-6-enylthio)-3,7-dimethyloct-6-enyl]-3-hydroxyphenyl] ester IUPAC Name: [4-[1-(3,7-dimethyloct-6-enylsulfanyl)-3,7-dimethyloct-6-enyl]-3-hydroxyphenyl] acetate Traditional Name: acetic acid [4-[1-(3,7-dimethyloct-6-enylthio)-3,7-dimethyl-oct-6-enyl]-3-hydroxy-phenyl] ester Formula: C28H44O3S MolecularWeight: 460.71216

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC=C(C)C)CCSC(CC(C)CCC=C(C)C)C1=C(C=C(C=C1)OC(=O)C)O

Isomeric SMILES

CC(CCC=C(C)C)CCSC(CC(C)CCC=C(C)C)C1=C(C=C(C=C1)OC(=O)C)O

InChI

InChI=1S/C28H44O3S/c1-20(2)10-8-12-22(5)16-17-32-28(18-23(6)13-9-11-21(3)4)26-15-14-25(19-27(26)30)31-24(7)29/h10-11,14-15,19,22-23,28,30H,8-9,12-13,16-18H2,1-7H3