[5-[(3R)-3-acetyloxy-3,7-dimethyl-1-propan-2-ylsulfanyl-oct-6-enyl]-2,3-dimethyl-4-oxidanyl-phenyl] ethanoate

Systemtic Name: [5-[(3R)-3-acetyloxy-3,7-dimethyl-1-propan-2-ylsulfanyl-oct-6-enyl]-2,3-dimethyl-4-oxidanyl-phenyl] ethanoate Openeye Name: [5-[(3R)-3-acetoxy-1-isopropylsulfanyl-3,7-dimethyl-oct-6-enyl]-4-hydroxy-2,3-dimethyl-phenyl] acetate CAS Name: acetic acid [5-[(3R)-3-acetyloxy-3,7-dimethyl-1-(propan-2-ylthio)oct-6-enyl]-4-hydroxy-2,3-dimethylphenyl] ester IUPAC Name: [5-[(3R)-3-acetyloxy-3,7-dimethyl-1-propan-2-ylsulfanyloct-6-enyl]-4-hydroxy-2,3-dimethylphenyl] acetate Traditional Name: acetic acid [5-[(3R)-3-acetoxy-1-(isopropylthio)-3,7-dimethyl-oct-6-enyl]-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(CC(C)(CCC=C(C)C)OC(=O)C)SC(C)C)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C25H38O5S/c1-15(2)11-10-12-25(9,30-20(8)27)14-23(31-16(3)4)21-13-22(29-19(7)26)17(5)18(6)24(21)28/h11,13,16,23,28H,10,12,14H2,1-9H3/t23?,25-/m1/s1