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

Systemtic Name: (4-octoxyphenyl) 1-octan-2-yloxy-4-phenyl-cyclohexa-2,5-diene-1-carboxylate Openeye Name: (4-octoxyphenyl) 1-(1-methylheptoxy)-4-phenyl-cyclohexa-2,5-diene-1-carboxylate CAS Name: 1-octan-2-yloxy-4-phenyl-1-cyclohexa-2,5-dienecarboxylic acid (4-octoxyphenyl) ester IUPAC Name: (4-octoxyphenyl) 1-octan-2-yloxy-4-phenylcyclohexa-2,5-diene-1-carboxylate Traditional Name: 1-(1-methylheptoxy)-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)OC(C)CCCCCC

Isomeric SMILES

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

InChI

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