1-(2-methylbutyl)-4-phenyl-cyclohexa-2,5-diene-1-carboxylic acid

Systemtic Name: 1-(2-methylbutyl)-4-phenyl-cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 1-(2-methylbutyl)-4-phenyl-cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 1-(2-methylbutyl)-4-phenyl-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 1-(2-methylbutyl)-4-phenylcyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 1-(2-methylbutyl)-4-phenyl-cyclohexa-2,5-diene-1-carboxylic acid Formula: C18H22O2 MolecularWeight: 270.36608

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1(C=CC(C=C1)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCC(C)CC1(C=CC(C=C1)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H22O2/c1-3-14(2)13-18(17(19)20)11-9-16(10-12-18)15-7-5-4-6-8-15/h4-12,14,16H,3,13H2,1-2H3,(H,19,20)