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

Systemtic Name: [(3S,4S,6Z,9Z)-4-oxidanylnonadeca-6,9-dien-3-yl] benzoate Openeye Name: [(1S,2S,4Z,7Z)-1-ethyl-2-hydroxy-heptadeca-4,7-dienyl] benzoate CAS Name: benzoic acid [(3S,4S,6Z,9Z)-4-hydroxynonadeca-6,9-dien-3-yl] ester IUPAC Name: [(3S,4S,6Z,9Z)-4-hydroxynonadeca-6,9-dien-3-yl] benzoate Traditional Name: benzoic acid [(1S,2S,4Z,7Z)-1-ethyl-2-hydroxy-heptadeca-4,7-dienyl] ester Formula: C26H40O3 MolecularWeight: 400.594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H40O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-19-22-24(27)25(4-2)29-26(28)23-20-17-16-18-21-23/h12-13,15-21,24-25,27H,3-11,14,22H2,1-2H3/b13-12-,19-15-/t24-,25-/m0/s1