4-(2-butylphenyl)-4-pentyl-cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: 4-(2-butylphenyl)-4-pentyl-cyclohexa-2,5-diene-1-carboxylate Openeye Name: 4-(2-butylphenyl)-4-pentyl-cyclohexa-2,5-diene-1-carboxylate CAS Name: 4-(2-butylphenyl)-4-pentyl-1-cyclohexa-2,5-dienecarboxylate IUPAC Name: 4-(2-butylphenyl)-4-pentylcyclohexa-2,5-diene-1-carboxylate Traditional Name: 4-amyl-4-(2-butylphenyl)cyclohexa-2,5-diene-1-carboxylate Formula: C22H29O2- MolecularWeight: 325.46446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(C=CC(C=C1)C(=O)[O-])C2=CC=CC=C2CCCC

Isomeric SMILES

CCCCCC1(C=CC(C=C1)C(=O)[O-])C2=CC=CC=C2CCCC

InChI

InChI=1S/C22H30O2/c1-3-5-9-15-22(16-13-19(14-17-22)21(23)24)20-12-8-7-11-18(20)10-6-4-2/h7-8,11-14,16-17,19H,3-6,9-10,15H2,1-2H3,(H,23,24)/p-1