[4-[(E)-8-oxidanylidene-7-propanoyl-dec-3-enyl]phenyl] benzoate

Systemtic Name: [4-[(E)-8-oxidanylidene-7-propanoyl-dec-3-enyl]phenyl] benzoate Openeye Name: [4-[(E)-8-oxo-7-propanoyl-dec-3-enyl]phenyl] benzoate CAS Name: benzoic acid [4-[(E)-8-oxo-7-(1-oxopropyl)dec-3-enyl]phenyl] ester IUPAC Name: [4-[(E)-8-oxo-7-propanoyldec-3-enyl]phenyl] benzoate Traditional Name: benzoic acid [4-[(E)-8-keto-7-propionyl-dec-3-enyl]phenyl] ester Formula: C26H30O4 MolecularWeight: 406.514

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CCC=CCCC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2)C(=O)CC

Isomeric SMILES

CCC(=O)C(CC/C=C/CCC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2)C(=O)CC

InChI

InChI=1S/C26H30O4/c1-3-24(27)23(25(28)4-2)15-11-6-5-8-12-20-16-18-22(19-17-20)30-26(29)21-13-9-7-10-14-21/h5-7,9-10,13-14,16-19,23H,3-4,8,11-12,15H2,1-2H3/b6-5+