4-[4-(2-octan-2-yloxycarbonylphenyl)phenyl]-1-octoxy-cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: 4-[4-(2-octan-2-yloxycarbonylphenyl)phenyl]-1-octoxy-cyclohexa-2,5-diene-1-carboxylate Openeye Name: 4-[4-[2-(1-methylheptoxycarbonyl)phenyl]phenyl]-1-octoxy-cyclohexa-2,5-diene-1-carboxylate CAS Name: 4-[4-[2-[octan-2-yloxy(oxo)methyl]phenyl]phenyl]-1-octoxy-1-cyclohexa-2,5-dienecarboxylate IUPAC Name: 4-[4-(2-octan-2-yloxycarbonylphenyl)phenyl]-1-octoxycyclohexa-2,5-diene-1-carboxylate Traditional Name: 4-[4-[2-(1-methylheptoxycarbonyl)phenyl]phenyl]-1-octoxy-cyclohexa-2,5-diene-1-carboxylate Formula: C36H47O5- MolecularWeight: 559.75538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1(C=CC(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)CCCCCC)C(=O)[O-]

Isomeric SMILES

CCCCCCCCOC1(C=CC(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)CCCCCC)C(=O)[O-]

InChI

InChI=1S/C36H48O5/c1-4-6-8-10-11-15-27-40-36(35(38)39)25-23-30(24-26-36)29-19-21-31(22-20-29)32-17-13-14-18-33(32)34(37)41-28(3)16-12-9-7-5-2/h13-14,17-26,28,30H,4-12,15-16,27H2,1-3H3,(H,38,39)/p-1