[(2Z,4E,6E,8E)-1-ethoxy-2-oxidanyl-1-oxidanylidene-icosa-2,4,6,8-tetraen-3-yl] benzoate

Systemtic Name: [(2Z,4E,6E,8E)-1-ethoxy-2-oxidanyl-1-oxidanylidene-icosa-2,4,6,8-tetraen-3-yl] benzoate Openeye Name: [(1Z,2E,4E,6E)-1-(2-ethoxy-1-hydroxy-2-oxo-ethylidene)octadeca-2,4,6-trienyl] benzoate CAS Name: benzoic acid [(2Z,4E,6E,8E)-1-ethoxy-2-hydroxy-1-oxoeicosa-2,4,6,8-tetraen-3-yl] ester IUPAC Name: [(2Z,4E,6E,8E)-1-ethoxy-2-hydroxy-1-oxoicosa-2,4,6,8-tetraen-3-yl] benzoate Traditional Name: benzoic acid [(1Z,2E,4E,6E)-1-(2-ethoxy-1-hydroxy-2-keto-ethylidene)octadeca-2,4,6-trienyl] ester Formula: C29H40O5 MolecularWeight: 468.6249

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC=CC=CC=CC(=C(C(=O)OCC)O)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCC/C=C/C=C/C=C/C(=C(\C(=O)OCC)/O)/OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C29H40O5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-26(27(30)29(32)33-4-2)34-28(31)25-22-19-18-20-23-25/h14-24,30H,3-13H2,1-2H3/b15-14+,17-16+,24-21+,27-26-