[(4R,9Z,12Z,15Z)-20-methoxy-20-oxidanylidene-icosa-9,12,15-trien-6-yn-4-yl] benzoate

Systemtic Name: [(4R,9Z,12Z,15Z)-20-methoxy-20-oxidanylidene-icosa-9,12,15-trien-6-yn-4-yl] benzoate Openeye Name: [(1R,6Z,9Z,12Z)-17-methoxy-17-oxo-1-propyl-heptadeca-6,9,12-trien-3-ynyl] benzoate CAS Name: benzoic acid [(4R,9Z,12Z,15Z)-20-methoxy-20-oxoeicosa-9,12,15-trien-6-yn-4-yl] ester IUPAC Name: [(4R,9Z,12Z,15Z)-20-methoxy-20-oxoicosa-9,12,15-trien-6-yn-4-yl] benzoate Traditional Name: benzoic acid [(1R,6Z,9Z,12Z)-17-keto-17-methoxy-1-propyl-heptadeca-6,9,12-trien-3-ynyl] ester Formula: C28H36O4 MolecularWeight: 436.58304

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC#CCC=CCC=CCC=CCCCC(=O)OC)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CCC[C@H](CC#CC/C=C\C/C=C\C/C=C\CCCC(=O)OC)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C28H36O4/c1-3-20-26(32-28(30)25-21-16-15-17-22-25)23-18-13-11-9-7-5-4-6-8-10-12-14-19-24-27(29)31-2/h4,6-7,9-10,12,15-17,21-22,26H,3,5,8,11,14,19-20,23-24H2,1-2H3/b6-4-,9-7-,12-10-/t26-/m1/s1