6-(2,6-dimethoxy-4-pentyl-phenyl)-4-methyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-(2,6-dimethoxy-4-pentyl-phenyl)-4-methyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-(2,6-dimethoxy-4-pentyl-phenyl)-4-methyl-cyclohex-3-ene-1-carboxylic acid CAS Name: 6-(2,6-dimethoxy-4-pentylphenyl)-4-methyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-(2,6-dimethoxy-4-pentylphenyl)-4-methylcyclohex-3-ene-1-carboxylic acid Traditional Name: 6-(4-amyl-2,6-dimethoxy-phenyl)-4-methyl-cyclohex-3-ene-1-carboxylic acid Formula: C21H30O4 MolecularWeight: 346.4605

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C(=C1)OC)C2CC(=CCC2C(=O)O)C)OC

Isomeric SMILES

CCCCCC1=CC(=C(C(=C1)OC)C2CC(=CCC2C(=O)O)C)OC

InChI

InChI=1S/C21H30O4/c1-5-6-7-8-15-12-18(24-3)20(19(13-15)25-4)17-11-14(2)9-10-16(17)21(22)23/h9,12-13,16-17H,5-8,10-11H2,1-4H3,(H,22,23)