3-[2,6-bis(oxidanyl)-4-pentyl-phenyl]-4-prop-1-en-2-yl-cyclohexene-1-carboxylic acid

Systemtic Name: 3-[2,6-bis(oxidanyl)-4-pentyl-phenyl]-4-prop-1-en-2-yl-cyclohexene-1-carboxylic acid Openeye Name: 3-(2,6-dihydroxy-4-pentyl-phenyl)-4-isopropenyl-cyclohexene-1-carboxylic acid CAS Name: 3-(2,6-dihydroxy-4-pentylphenyl)-4-(1-methylethenyl)-1-cyclohexenecarboxylic acid IUPAC Name: 3-(2,6-dihydroxy-4-pentylphenyl)-4-prop-1-en-2-ylcyclohexene-1-carboxylic acid Traditional Name: 3-(4-amyl-2,6-dihydroxy-phenyl)-4-isopropenyl-cyclohexene-1-carboxylic acid Formula: C21H28O4 MolecularWeight: 344.44462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C(=C1)O)C2C=C(CCC2C(=C)C)C(=O)O)O

Isomeric SMILES

CCCCCC1=CC(=C(C(=C1)O)C2C=C(CCC2C(=C)C)C(=O)O)O

InChI

InChI=1S/C21H28O4/c1-4-5-6-7-14-10-18(22)20(19(23)11-14)17-12-15(21(24)25)8-9-16(17)13(2)3/h10-12,16-17,22-23H,2,4-9H2,1,3H3,(H,24,25)