[5-[2-[(3R)-3-acetyloxy-3,7-dimethyl-oct-6-enyl]sulfanylpropan-2-yl]-2,3-dimethyl-4-oxidanyl-phenyl] ethanoate

Systemtic Name: [5-[2-[(3R)-3-acetyloxy-3,7-dimethyl-oct-6-enyl]sulfanylpropan-2-yl]-2,3-dimethyl-4-oxidanyl-phenyl] ethanoate Openeye Name: [5-[1-[(3R)-3-acetoxy-3,7-dimethyl-oct-6-enyl]sulfanyl-1-methyl-ethyl]-4-hydroxy-2,3-dimethyl-phenyl] acetate CAS Name: acetic acid [5-[2-[[(3R)-3-acetyloxy-3,7-dimethyloct-6-enyl]thio]propan-2-yl]-4-hydroxy-2,3-dimethylphenyl] ester IUPAC Name: [5-[2-[(3R)-3-acetyloxy-3,7-dimethyloct-6-enyl]sulfanylpropan-2-yl]-4-hydroxy-2,3-dimethylphenyl] acetate Traditional Name: acetic acid [5-[1-[[(3R)-3-acetoxy-3,7-dimethyl-oct-6-enyl]thio]-1-methyl-ethyl]-4-hydroxy-2,3-dimethyl-phenyl] ester Formula: C25H38O5S MolecularWeight: 450.63122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1C)O)C(C)(C)SCCC(C)(CCC=C(C)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC1=C(C=C(C(=C1C)O)C(C)(C)SCC[C@@](C)(CCC=C(C)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C25H38O5S/c1-16(2)11-10-12-25(9,30-20(6)27)13-14-31-24(7,8)21-15-22(29-19(5)26)17(3)18(4)23(21)28/h11,15,28H,10,12-14H2,1-9H3/t25-/m1/s1