4-dodecanoyloxy-4-(2-octan-2-yloxycarbonylphenyl)cyclohexa-2,5-diene-1-carboxylic acid

Systemtic Name: 4-dodecanoyloxy-4-(2-octan-2-yloxycarbonylphenyl)cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 4-dodecanoyloxy-4-[2-(1-methylheptoxycarbonyl)phenyl]cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 4-[2-[octan-2-yloxy(oxo)methyl]phenyl]-4-(1-oxododecoxy)-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 4-dodecanoyloxy-4-(2-octan-2-yloxycarbonylphenyl)cyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 4-lauroyloxy-4-[2-(1-methylheptoxycarbonyl)phenyl]cyclohexa-2,5-diene-1-carboxylic acid Formula: C34H50O6 MolecularWeight: 554.7572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC1(C=CC(C=C1)C(=O)O)C2=CC=CC=C2C(=O)OC(C)CCCCCC

Isomeric SMILES

CCCCCCCCCCCC(=O)OC1(C=CC(C=C1)C(=O)O)C2=CC=CC=C2C(=O)OC(C)CCCCCC

InChI

InChI=1S/C34H50O6/c1-4-6-8-10-11-12-13-14-16-22-31(35)40-34(25-23-28(24-26-34)32(36)37)30-21-18-17-20-29(30)33(38)39-27(3)19-15-9-7-5-2/h17-18,20-21,23-28H,4-16,19,22H2,1-3H3,(H,36,37)