[(15R,18Z,21R,24Z)-15,21-dimethylhentriaconta-18,24-dien-13-yl] 4-methylbenzenesulfonate

Systemtic Name: [(15R,18Z,21R,24Z)-15,21-dimethylhentriaconta-18,24-dien-13-yl] 4-methylbenzenesulfonate Openeye Name: [(3R,6Z,9R,12Z)-1-dodecyl-3,9-dimethyl-nonadeca-6,12-dienyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(15R,18Z,21R,24Z)-15,21-dimethylhentriaconta-18,24-dien-13-yl] ester IUPAC Name: [(15R,18Z,21R,24Z)-15,21-dimethylhentriaconta-18,24-dien-13-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3R,6Z,9R,12Z)-1-lauryl-3,9-dimethyl-nonadeca-6,12-dienyl] ester Formula: C40H70O3S MolecularWeight: 631.047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CC(C)CCC=CCC(C)CCC=CCCCCCC)OS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCCCCCCCC(C[C@H](C)CC/C=C\C[C@H](C)CC/C=C\CCCCCC)OS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C40H70O3S/c1-6-8-10-12-14-16-17-19-21-26-30-39(43-44(41,42)40-33-31-37(4)32-34-40)35-38(5)29-25-22-24-28-36(3)27-23-20-18-15-13-11-9-7-2/h18,20,22,24,31-34,36,38-39H,6-17,19,21,23,25-30,35H2,1-5H3/b20-18-,24-22-/t36-,38-,39?/m1/s1