phenyl 1-octoxy-4-phenyl-cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: phenyl 1-octoxy-4-phenyl-cyclohexa-2,5-diene-1-carboxylate Openeye Name: phenyl 1-octoxy-4-phenyl-cyclohexa-2,5-diene-1-carboxylate CAS Name: 1-octoxy-4-phenyl-1-cyclohexa-2,5-dienecarboxylic acid phenyl ester IUPAC Name: phenyl 1-octoxy-4-phenylcyclohexa-2,5-diene-1-carboxylate Traditional Name: 1-octoxy-4-phenyl-cyclohexa-2,5-diene-1-carboxylic acid phenyl ester Formula: C27H32O3 MolecularWeight: 404.54118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C27H32O3/c1-2-3-4-5-6-13-22-29-27(26(28)30-25-16-11-8-12-17-25)20-18-24(19-21-27)23-14-9-7-10-15-23/h7-12,14-21,24H,2-6,13,22H2,1H3