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

Systemtic Name: 4-(2-hexan-2-yloxycarbonylphenyl)-4-undecanoyloxy-cyclohexa-2,5-diene-1-carboxylate Openeye Name: 4-[2-(1-methylpentoxycarbonyl)phenyl]-4-undecanoyloxy-cyclohexa-2,5-diene-1-carboxylate CAS Name: 4-[2-[hexan-2-yloxy(oxo)methyl]phenyl]-4-(1-oxoundecoxy)-1-cyclohexa-2,5-dienecarboxylate IUPAC Name: 4-(2-hexan-2-yloxycarbonylphenyl)-4-undecanoyloxycyclohexa-2,5-diene-1-carboxylate Traditional Name: 4-[2-(1-methylpentoxycarbonyl)phenyl]-4-undecanoyloxy-cyclohexa-2,5-diene-1-carboxylate Formula: C31H43O6- MolecularWeight: 511.66952

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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)CCCC

Isomeric SMILES

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

InChI

InChI=1S/C31H44O6/c1-4-6-8-9-10-11-12-13-19-28(32)37-31(22-20-25(21-23-31)29(33)34)27-18-15-14-17-26(27)30(35)36-24(3)16-7-5-2/h14-15,17-18,20-25H,4-13,16,19H2,1-3H3,(H,33,34)/p-1