4-(2-octan-2-yloxycarbonylphenyl)-4-undecanoyloxy-cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: 4-(2-octan-2-yloxycarbonylphenyl)-4-undecanoyloxy-cyclohexa-2,5-diene-1-carboxylate Openeye Name: 4-[2-(1-methylheptoxycarbonyl)phenyl]-4-undecanoyloxy-cyclohexa-2,5-diene-1-carboxylate CAS Name: 4-[2-[octan-2-yloxy(oxo)methyl]phenyl]-4-(1-oxoundecoxy)-1-cyclohexa-2,5-dienecarboxylate IUPAC Name: 4-(2-octan-2-yloxycarbonylphenyl)-4-undecanoyloxycyclohexa-2,5-diene-1-carboxylate Traditional Name: 4-[2-(1-methylheptoxycarbonyl)phenyl]-4-undecanoyloxy-cyclohexa-2,5-diene-1-carboxylate Formula: C33H47O6- MolecularWeight: 539.72268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(=O)OC1(C=CC(C=C1)C(=O)[O-])C2=CC=CC=C2C(=O)OC(C)CCCCCC

Isomeric SMILES

CCCCCCCCCCC(=O)OC1(C=CC(C=C1)C(=O)[O-])C2=CC=CC=C2C(=O)OC(C)CCCCCC

InChI

InChI=1S/C33H48O6/c1-4-6-8-10-11-12-13-15-21-30(34)39-33(24-22-27(23-25-33)31(35)36)29-20-17-16-19-28(29)32(37)38-26(3)18-14-9-7-5-2/h16-17,19-20,22-27H,4-15,18,21H2,1-3H3,(H,35,36)/p-1