2-[2-[2,6-bis(oxidanyl)-4-pentyl-phenyl]-4-ethyl-cyclohexen-1-yl]ethanoic acid

Systemtic Name: 2-[2-[2,6-bis(oxidanyl)-4-pentyl-phenyl]-4-ethyl-cyclohexen-1-yl]ethanoic acid Openeye Name: 2-[2-(2,6-dihydroxy-4-pentyl-phenyl)-4-ethyl-cyclohexen-1-yl]acetic acid CAS Name: 2-[2-(2,6-dihydroxy-4-pentylphenyl)-4-ethyl-1-cyclohexenyl]acetic acid IUPAC Name: 2-[2-(2,6-dihydroxy-4-pentylphenyl)-4-ethylcyclohexen-1-yl]acetic acid Traditional Name: 2-[2-(4-amyl-2,6-dihydroxy-phenyl)-4-ethyl-cyclohexen-1-yl]acetic acid Formula: C21H30O4 MolecularWeight: 346.4605

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C(=C1)O)C2=C(CCC(C2)CC)CC(=O)O)O

Isomeric SMILES

CCCCCC1=CC(=C(C(=C1)O)C2=C(CCC(C2)CC)CC(=O)O)O

InChI

InChI=1S/C21H30O4/c1-3-5-6-7-15-11-18(22)21(19(23)12-15)17-10-14(4-2)8-9-16(17)13-20(24)25/h11-12,14,22-23H,3-10,13H2,1-2H3,(H,24,25)