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

Systemtic Name: 4-nonanoyloxy-4-(2-octan-2-yloxycarbonylphenyl)cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 4-[2-(1-methylheptoxycarbonyl)phenyl]-4-nonanoyloxy-cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 4-[2-[octan-2-yloxy(oxo)methyl]phenyl]-4-(1-oxononoxy)-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 4-nonanoyloxy-4-(2-octan-2-yloxycarbonylphenyl)cyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 4-[2-(1-methylheptoxycarbonyl)phenyl]-4-pelargonyloxy-cyclohexa-2,5-diene-1-carboxylic acid Formula: C31H44O6 MolecularWeight: 512.67746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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