4-heptyl-4-(2-pentylphenyl)cyclohexa-2,5-diene-1-carboxylic acid

Systemtic Name: 4-heptyl-4-(2-pentylphenyl)cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 4-heptyl-4-(2-pentylphenyl)cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 4-heptyl-4-(2-pentylphenyl)-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 4-heptyl-4-(2-pentylphenyl)cyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 4-(2-amylphenyl)-4-heptyl-cyclohexa-2,5-diene-1-carboxylic acid Formula: C25H36O2 MolecularWeight: 368.55214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(C=CC(C=C1)C(=O)O)C2=CC=CC=C2CCCCC

Isomeric SMILES

CCCCCCCC1(C=CC(C=C1)C(=O)O)C2=CC=CC=C2CCCCC

InChI

InChI=1S/C25H36O2/c1-3-5-7-8-12-18-25(19-16-22(17-20-25)24(26)27)23-15-11-10-14-21(23)13-9-6-4-2/h10-11,14-17,19-20,22H,3-9,12-13,18H2,1-2H3,(H,26,27)