[2-(4-butoxyphenyl)-2-oxidanylidene-ethyl] 4-heptylbenzoate

Systemtic Name: [2-(4-butoxyphenyl)-2-oxidanylidene-ethyl] 4-heptylbenzoate Openeye Name: [2-(4-butoxyphenyl)-2-oxo-ethyl] 4-heptylbenzoate CAS Name: 4-heptylbenzoic acid [2-(4-butoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-butoxyphenyl)-2-oxoethyl] 4-heptylbenzoate Traditional Name: 4-heptylbenzoic acid [2-(4-butoxyphenyl)-2-keto-ethyl] ester Formula: C26H34O4 MolecularWeight: 410.54576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)OCCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)OCCCC

InChI

InChI=1S/C26H34O4/c1-3-5-7-8-9-10-21-11-13-23(14-12-21)26(28)30-20-25(27)22-15-17-24(18-16-22)29-19-6-4-2/h11-18H,3-10,19-20H2,1-2H3