4-(3-chlorophenyl)-1-octoxy-cyclohexa-2,5-diene-1-carboxylic acid

Systemtic Name: 4-(3-chlorophenyl)-1-octoxy-cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 4-(3-chlorophenyl)-1-octoxy-cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 4-(3-chlorophenyl)-1-octoxy-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 4-(3-chlorophenyl)-1-octoxycyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 4-(3-chlorophenyl)-1-octoxy-cyclohexa-2,5-diene-1-carboxylic acid Formula: C21H27ClO3 MolecularWeight: 362.89028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1(C=CC(C=C1)C2=CC(=CC=C2)Cl)C(=O)O

Isomeric SMILES

CCCCCCCCOC1(C=CC(C=C1)C2=CC(=CC=C2)Cl)C(=O)O

InChI

InChI=1S/C21H27ClO3/c1-2-3-4-5-6-7-15-25-21(20(23)24)13-11-17(12-14-21)18-9-8-10-19(22)16-18/h8-14,16-17H,2-7,15H2,1H3,(H,23,24)