[3-[(6E,10E)-3-acetyloxy-3,7,11,15-tetramethyl-1-propan-2-ylsulfanyl-hexadeca-6,10,14-trienyl]-2,5,6-trimethyl-4-oxidanyl-phenyl] ethanoate

Systemtic Name: [3-[(6E,10E)-3-acetyloxy-3,7,11,15-tetramethyl-1-propan-2-ylsulfanyl-hexadeca-6,10,14-trienyl]-2,5,6-trimethyl-4-oxidanyl-phenyl] ethanoate Openeye Name: [3-[(6E,10E)-3-acetoxy-1-isopropylsulfanyl-3,7,11,15-tetramethyl-hexadeca-6,10,14-trienyl]-4-hydroxy-2,5,6-trimethyl-phenyl] acetate CAS Name: acetic acid [3-[(6E,10E)-3-acetyloxy-3,7,11,15-tetramethyl-1-(propan-2-ylthio)hexadeca-6,10,14-trienyl]-4-hydroxy-2,5,6-trimethylphenyl] ester IUPAC Name: [3-[(6E,10E)-3-acetyloxy-3,7,11,15-tetramethyl-1-propan-2-ylsulfanylhexadeca-6,10,14-trienyl]-4-hydroxy-2,5,6-trimethylphenyl] acetate Traditional Name: acetic acid [3-[(6E,10E)-3-acetoxy-1-(isopropylthio)-3,7,11,15-tetramethyl-hexadeca-6,10,14-trienyl]-4-hydroxy-2,5,6-trimethyl-phenyl] ester Formula: C36H56O5S MolecularWeight: 600.89184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1O)C(CC(C)(CCC=C(C)CCC=C(C)CCC=C(C)C)OC(=O)C)SC(C)C)C)OC(=O)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1O)C(CC(C)(CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)OC(=O)C)SC(C)C)C)OC(=O)C)C

InChI

InChI=1S/C36H56O5S/c1-23(2)16-13-17-25(5)18-14-19-26(6)20-15-21-36(12,41-31(11)38)22-32(42-24(3)4)33-29(9)35(40-30(10)37)28(8)27(7)34(33)39/h16,18,20,24,32,39H,13-15,17,19,21-22H2,1-12H3/b25-18+,26-20+