[(E)-1-[(E)-but-2-enoxy]-1-oxidanylidene-octadec-9-en-4-yl] benzoate

Systemtic Name: [(E)-1-[(E)-but-2-enoxy]-1-oxidanylidene-octadec-9-en-4-yl] benzoate Openeye Name: [(E)-1-[3-[(E)-but-2-enoxy]-3-oxo-propyl]pentadec-6-enyl] benzoate CAS Name: benzoic acid [(E)-1-[(E)-but-2-enoxy]-1-oxooctadec-9-en-4-yl] ester IUPAC Name: [(E)-1-[(E)-but-2-enoxy]-1-oxooctadec-9-en-4-yl] benzoate Traditional Name: benzoic acid [(E)-1-[3-[(E)-but-2-enoxy]-3-keto-propyl]pentadec-6-enyl] ester Formula: C29H44O4 MolecularWeight: 456.65726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCC(CCC(=O)OCC=CC)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCC/C=C/CCCCC(CCC(=O)OC/C=C/C)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C29H44O4/c1-3-5-7-8-9-10-11-12-13-14-15-19-22-27(23-24-28(30)32-25-6-4-2)33-29(31)26-20-17-16-18-21-26/h4,6,12-13,16-18,20-21,27H,3,5,7-11,14-15,19,22-25H2,1-2H3/b6-4+,13-12+