[4-[(E)-3-[(2S)-2-methylbutoxy]-3-oxidanylidene-prop-1-enyl]phenyl] 4-hexadecoxybenzoate

Systemtic Name: [4-[(E)-3-[(2S)-2-methylbutoxy]-3-oxidanylidene-prop-1-enyl]phenyl] 4-hexadecoxybenzoate Openeye Name: [4-[(E)-3-[(2S)-2-methylbutoxy]-3-oxo-prop-1-enyl]phenyl] 4-hexadecoxybenzoate CAS Name: 4-hexadecoxybenzoic acid [4-[(E)-3-[(2S)-2-methylbutoxy]-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-[(2S)-2-methylbutoxy]-3-oxoprop-1-enyl]phenyl] 4-hexadecoxybenzoate Traditional Name: 4-cetyloxybenzoic acid [4-[(E)-3-keto-3-[(2S)-2-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)OCC(C)CC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C/C(=O)OC[C@@H](C)CC

InChI

InChI=1S/C37H54O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-29-40-34-26-22-33(23-27-34)37(39)42-35-24-19-32(20-25-35)21-28-36(38)41-30-31(3)5-2/h19-28,31H,4-18,29-30H2,1-3H3/b28-21+/t31-/m0/s1