[(3S,4S,6Z,9Z)-4-(4-methylphenyl)sulfonyloxynonadeca-6,9-dien-3-yl] benzoate

Systemtic Name: [(3S,4S,6Z,9Z)-4-(4-methylphenyl)sulfonyloxynonadeca-6,9-dien-3-yl] benzoate Openeye Name: [(1S,2S,4Z,7Z)-1-ethyl-2-(p-tolylsulfonyloxy)heptadeca-4,7-dienyl] benzoate CAS Name: benzoic acid [(3S,4S,6Z,9Z)-4-(4-methylphenyl)sulfonyloxynonadeca-6,9-dien-3-yl] ester IUPAC Name: [(3S,4S,6Z,9Z)-4-(4-methylphenyl)sulfonyloxynonadeca-6,9-dien-3-yl] benzoate Traditional Name: benzoic acid [(1S,2S,4Z,7Z)-1-ethyl-2-tosyloxy-heptadeca-4,7-dienyl] ester Formula: C33H46O5S MolecularWeight: 554.78034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC=CCC=CCC(C(CC)OC(=O)C1=CC=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCC/C=C\C/C=C\C[C@@H]([C@H](CC)OC(=O)C1=CC=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C33H46O5S/c1-4-6-7-8-9-10-11-12-13-14-15-16-20-23-32(38-39(35,36)30-26-24-28(3)25-27-30)31(5-2)37-33(34)29-21-18-17-19-22-29/h13-14,16-22,24-27,31-32H,4-12,15,23H2,1-3H3/b14-13-,20-16-/t31-,32-/m0/s1