4-octoxy-4-(3-octoxy-4-phenyl-phenyl)cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: 4-octoxy-4-(3-octoxy-4-phenyl-phenyl)cyclohexa-2,5-diene-1-carboxylate Openeye Name: 4-octoxy-4-(3-octoxy-4-phenyl-phenyl)cyclohexa-2,5-diene-1-carboxylate CAS Name: 4-octoxy-4-(3-octoxy-4-phenylphenyl)-1-cyclohexa-2,5-dienecarboxylate IUPAC Name: 4-octoxy-4-(3-octoxy-4-phenylphenyl)cyclohexa-2,5-diene-1-carboxylate Traditional Name: 4-octoxy-4-(3-octoxy-4-phenyl-phenyl)cyclohexa-2,5-diene-1-carboxylate Formula: C35H47O4- MolecularWeight: 531.74528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=CC(=C1)C2(C=CC(C=C2)C(=O)[O-])OCCCCCCCC)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCOC1=C(C=CC(=C1)C2(C=CC(C=C2)C(=O)[O-])OCCCCCCCC)C3=CC=CC=C3

InChI

InChI=1S/C35H48O4/c1-3-5-7-9-11-16-26-38-33-28-31(20-21-32(33)29-18-14-13-15-19-29)35(24-22-30(23-25-35)34(36)37)39-27-17-12-10-8-6-4-2/h13-15,18-25,28,30H,3-12,16-17,26-27H2,1-2H3,(H,36,37)/p-1