[18-(2-ethylhexoxy)-18-oxidanylidene-octadecan-7-yl] benzoate

Systemtic Name: [18-(2-ethylhexoxy)-18-oxidanylidene-octadecan-7-yl] benzoate Openeye Name: [12-(2-ethylhexoxy)-1-hexyl-12-oxo-dodecyl] benzoate CAS Name: benzoic acid [18-(2-ethylhexoxy)-18-oxooctadecan-7-yl] ester IUPAC Name: [18-(2-ethylhexoxy)-18-oxooctadecan-7-yl] benzoate Traditional Name: benzoic acid [12-(2-ethylhexoxy)-1-hexyl-12-keto-dodecyl] ester Formula: C33H56O4 MolecularWeight: 516.79534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCCCCCCC(=O)OCC(CC)CCCC)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCC(CCCCCCCCCCC(=O)OCC(CC)CCCC)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C33H56O4/c1-4-7-9-19-25-31(37-33(35)30-23-17-16-18-24-30)26-20-14-12-10-11-13-15-21-27-32(34)36-28-29(6-3)22-8-5-2/h16-18,23-24,29,31H,4-15,19-22,25-28H2,1-3H3