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

Systemtic Name: [4-[(E)-3-(2-methylbutoxy)-3-oxidanylidene-prop-1-enyl]phenyl]methyl 4-butoxybenzoate Openeye Name: [4-[(E)-3-(2-methylbutoxy)-3-oxo-prop-1-enyl]phenyl]methyl 4-butoxybenzoate CAS Name: 4-butoxybenzoic 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-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [4-[(E)-3-keto-3-(2-methylbutoxy)prop-1-enyl]benzyl] ester Formula: C26H32O5 MolecularWeight: 424.52928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC2=CC=C(C=C2)C=CC(=O)OCC(C)CC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC2=CC=C(C=C2)/C=C/C(=O)OCC(C)CC

InChI

InChI=1S/C26H32O5/c1-4-6-17-29-24-14-12-23(13-15-24)26(28)31-19-22-9-7-21(8-10-22)11-16-25(27)30-18-20(3)5-2/h7-16,20H,4-6,17-19H2,1-3H3/b16-11+