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

Systemtic Name: 4-butyl-4-(2-butylphenyl)cyclohexa-2,5-diene-1-carboxylate Openeye Name: 4-butyl-4-(2-butylphenyl)cyclohexa-2,5-diene-1-carboxylate CAS Name: 4-butyl-4-(2-butylphenyl)-1-cyclohexa-2,5-dienecarboxylate IUPAC Name: 4-butyl-4-(2-butylphenyl)cyclohexa-2,5-diene-1-carboxylate Traditional Name: 4-butyl-4-(2-butylphenyl)cyclohexa-2,5-diene-1-carboxylate Formula: C21H27O2- MolecularWeight: 311.43788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1C2(C=CC(C=C2)C(=O)[O-])CCCC

Isomeric SMILES

CCCCC1=CC=CC=C1C2(C=CC(C=C2)C(=O)[O-])CCCC

InChI

InChI=1S/C21H28O2/c1-3-5-9-17-10-7-8-11-19(17)21(14-6-4-2)15-12-18(13-16-21)20(22)23/h7-8,10-13,15-16,18H,3-6,9,14H2,1-2H3,(H,22,23)/p-1