[4-[(E)-3-oxidanylidene-3-pentan-2-yloxy-prop-1-enyl]phenyl] 4-hexadecoxybenzoate

Systemtic Name: [4-[(E)-3-oxidanylidene-3-pentan-2-yloxy-prop-1-enyl]phenyl] 4-hexadecoxybenzoate Openeye Name: [4-[(E)-3-(1-methylbutoxy)-3-oxo-prop-1-enyl]phenyl] 4-hexadecoxybenzoate CAS Name: 4-hexadecoxybenzoic acid [4-[(E)-3-oxo-3-pentan-2-yloxyprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-oxo-3-pentan-2-yloxyprop-1-enyl]phenyl] 4-hexadecoxybenzoate Traditional Name: 4-cetyloxybenzoic acid [4-[(E)-3-keto-3-(1-methylbutoxy)prop-1-enyl]phenyl] ester Formula: C37H54O5 MolecularWeight: 578.82166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=CC(=O)OC(C)CCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C/C(=O)OC(C)CCC

InChI

InChI=1S/C37H54O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-30-40-34-27-23-33(24-28-34)37(39)42-35-25-20-32(21-26-35)22-29-36(38)41-31(3)19-5-2/h20-29,31H,4-19,30H2,1-3H3/b29-22+