(4-octoxyphenyl) 1-(1-hexoxyethyl)-4-phenyl-cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: (4-octoxyphenyl) 1-(1-hexoxyethyl)-4-phenyl-cyclohexa-2,5-diene-1-carboxylate Openeye Name: (4-octoxyphenyl) 1-(1-hexoxyethyl)-4-phenyl-cyclohexa-2,5-diene-1-carboxylate CAS Name: 1-(1-hexoxyethyl)-4-phenyl-1-cyclohexa-2,5-dienecarboxylic acid (4-octoxyphenyl) ester IUPAC Name: (4-octoxyphenyl) 1-(1-hexoxyethyl)-4-phenylcyclohexa-2,5-diene-1-carboxylate Traditional Name: 1-(1-hexoxyethyl)-4-phenyl-cyclohexa-2,5-diene-1-carboxylic acid (4-octoxyphenyl) ester Formula: C35H48O4 MolecularWeight: 532.75322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2(C=CC(C=C2)C3=CC=CC=C3)C(C)OCCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2(C=CC(C=C2)C3=CC=CC=C3)C(C)OCCCCCC

InChI

InChI=1S/C35H48O4/c1-4-6-8-10-11-16-28-38-32-19-21-33(22-20-32)39-34(36)35(29(3)37-27-15-9-7-5-2)25-23-31(24-26-35)30-17-13-12-14-18-30/h12-14,17-26,29,31H,4-11,15-16,27-28H2,1-3H3