[4-[(E)-2-cyano-3-(2-methylbutoxy)-3-oxidanylidene-prop-1-enyl]phenyl] 2-dodecan-4-yloxybenzoate

Systemtic Name: [4-[(E)-2-cyano-3-(2-methylbutoxy)-3-oxidanylidene-prop-1-enyl]phenyl] 2-dodecan-4-yloxybenzoate Openeye Name: [4-[(E)-2-cyano-3-(2-methylbutoxy)-3-oxo-prop-1-enyl]phenyl] 2-(1-propylnonoxy)benzoate CAS Name: 2-dodecan-4-yloxybenzoic acid [4-[(E)-2-cyano-3-(2-methylbutoxy)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2-methylbutoxy)-3-oxoprop-1-enyl]phenyl] 2-dodecan-4-yloxybenzoate Traditional Name: 2-(1-propylnonoxy)benzoic acid [4-[(E)-2-cyano-3-keto-3-(2-methylbutoxy)prop-1-enyl]phenyl] ester Formula: C34H45NO5 MolecularWeight: 547.7248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCC)OC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)OCC(C)CC

Isomeric SMILES

CCCCCCCCC(CCC)OC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C(=O)OCC(C)CC

InChI

InChI=1S/C34H45NO5/c1-5-8-9-10-11-12-16-29(15-6-2)39-32-18-14-13-17-31(32)34(37)40-30-21-19-27(20-22-30)23-28(24-35)33(36)38-25-26(4)7-3/h13-14,17-23,26,29H,5-12,15-16,25H2,1-4H3/b28-23+