[2-[1-(3,7-dimethyloct-6-enylsulfanyl)-3,7-dimethyl-oct-6-enyl]-3-oxidanyl-phenyl] ethanoate

Systemtic Name: [2-[1-(3,7-dimethyloct-6-enylsulfanyl)-3,7-dimethyl-oct-6-enyl]-3-oxidanyl-phenyl] ethanoate Openeye Name: [2-[1-(3,7-dimethyloct-6-enylsulfanyl)-3,7-dimethyl-oct-6-enyl]-3-hydroxy-phenyl] acetate CAS Name: acetic acid [2-[1-(3,7-dimethyloct-6-enylthio)-3,7-dimethyloct-6-enyl]-3-hydroxyphenyl] ester IUPAC Name: [2-[1-(3,7-dimethyloct-6-enylsulfanyl)-3,7-dimethyloct-6-enyl]-3-hydroxyphenyl] acetate Traditional Name: acetic acid [2-[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=CC=C1OC(=O)C)O

Isomeric SMILES

CC(CCC=C(C)C)CCSC(CC(C)CCC=C(C)C)C1=C(C=CC=C1OC(=O)C)O

InChI

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