[2-[1-(3,7-dimethyloct-6-enylsulfanyl)-3,7-dimethyl-oct-6-enyl]-3-oxidanyl-5-pentyl-phenyl] ethanoate

Systemtic Name: [2-[1-(3,7-dimethyloct-6-enylsulfanyl)-3,7-dimethyl-oct-6-enyl]-3-oxidanyl-5-pentyl-phenyl] ethanoate Openeye Name: [2-[1-(3,7-dimethyloct-6-enylsulfanyl)-3,7-dimethyl-oct-6-enyl]-3-hydroxy-5-pentyl-phenyl] acetate CAS Name: acetic acid [2-[1-(3,7-dimethyloct-6-enylthio)-3,7-dimethyloct-6-enyl]-3-hydroxy-5-pentylphenyl] ester IUPAC Name: [2-[1-(3,7-dimethyloct-6-enylsulfanyl)-3,7-dimethyloct-6-enyl]-3-hydroxy-5-pentylphenyl] acetate Traditional Name: acetic acid [5-amyl-2-[1-(3,7-dimethyloct-6-enylthio)-3,7-dimethyl-oct-6-enyl]-3-hydroxy-phenyl] ester Formula: C33H54O3S MolecularWeight: 530.84506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C(=C1)OC(=O)C)C(CC(C)CCC=C(C)C)SCCC(C)CCC=C(C)C)O

Isomeric SMILES

CCCCCC1=CC(=C(C(=C1)OC(=O)C)C(CC(C)CCC=C(C)C)SCCC(C)CCC=C(C)C)O

InChI

InChI=1S/C33H54O3S/c1-9-10-11-18-29-22-30(35)33(31(23-29)36-28(8)34)32(21-27(7)17-13-15-25(4)5)37-20-19-26(6)16-12-14-24(2)3/h14-15,22-23,26-27,32,35H,9-13,16-21H2,1-8H3