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

Systemtic Name: [4-[(E)-3-(2-methylbutoxy)-3-oxidanylidene-prop-1-enyl]phenyl]methyl 2-nonan-4-yloxybenzoate Openeye Name: [4-[(E)-3-(2-methylbutoxy)-3-oxo-prop-1-enyl]phenyl]methyl 2-(1-propylhexoxy)benzoate CAS Name: 2-nonan-4-yloxybenzoic acid [4-[(E)-3-(2-methylbutoxy)-3-oxoprop-1-enyl]phenyl]methyl ester IUPAC Name: [4-[(E)-3-(2-methylbutoxy)-3-oxoprop-1-enyl]phenyl]methyl 2-nonan-4-yloxybenzoate Traditional Name: 2-(1-propylhexoxy)benzoic acid [4-[(E)-3-keto-3-(2-methylbutoxy)prop-1-enyl]benzyl] ester Formula: C31H42O5 MolecularWeight: 494.66218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC)OC1=CC=CC=C1C(=O)OCC2=CC=C(C=C2)C=CC(=O)OCC(C)CC

Isomeric SMILES

CCCCCC(CCC)OC1=CC=CC=C1C(=O)OCC2=CC=C(C=C2)/C=C/C(=O)OCC(C)CC

InChI

InChI=1S/C31H42O5/c1-5-8-9-13-27(12-6-2)36-29-15-11-10-14-28(29)31(33)35-23-26-18-16-25(17-19-26)20-21-30(32)34-22-24(4)7-3/h10-11,14-21,24,27H,5-9,12-13,22-23H2,1-4H3/b21-20+