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

Systemtic Name: [4-[(E)-3-(2-methylbutoxy)-3-oxidanylidene-prop-1-enyl]phenyl]methyl 4-dodecoxybenzoate Openeye Name: [4-[(E)-3-(2-methylbutoxy)-3-oxo-prop-1-enyl]phenyl]methyl 4-dodecoxybenzoate CAS Name: 4-dodecoxybenzoic 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 4-dodecoxybenzoate Traditional Name: 4-lauryloxybenzoic acid [4-[(E)-3-keto-3-(2-methylbutoxy)prop-1-enyl]benzyl] ester Formula: C34H48O5 MolecularWeight: 536.74192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)OCC2=CC=C(C=C2)C=CC(=O)OCC(C)CC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)OCC2=CC=C(C=C2)/C=C/C(=O)OCC(C)CC

InChI

InChI=1S/C34H48O5/c1-4-6-7-8-9-10-11-12-13-14-25-37-32-22-20-31(21-23-32)34(36)39-27-30-17-15-29(16-18-30)19-24-33(35)38-26-28(3)5-2/h15-24,28H,4-14,25-27H2,1-3H3/b24-19+