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

Systemtic Name: 4-butyl-4-(2-heptoxyphenyl)cyclohexa-2,5-diene-1-carboxylate Openeye Name: 4-butyl-4-(2-heptoxyphenyl)cyclohexa-2,5-diene-1-carboxylate CAS Name: 4-butyl-4-(2-heptoxyphenyl)-1-cyclohexa-2,5-dienecarboxylate IUPAC Name: 4-butyl-4-(2-heptoxyphenyl)cyclohexa-2,5-diene-1-carboxylate Traditional Name: 4-butyl-4-(2-heptoxyphenyl)cyclohexa-2,5-diene-1-carboxylate Formula: C24H33O3- MolecularWeight: 369.51702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC=C1C2(C=CC(C=C2)C(=O)[O-])CCCC

Isomeric SMILES

CCCCCCCOC1=CC=CC=C1C2(C=CC(C=C2)C(=O)[O-])CCCC

InChI

InChI=1S/C24H34O3/c1-3-5-7-8-11-19-27-22-13-10-9-12-21(22)24(16-6-4-2)17-14-20(15-18-24)23(25)26/h9-10,12-15,17-18,20H,3-8,11,16,19H2,1-2H3,(H,25,26)/p-1