2-[2-[4-heptan-3-yl-2,6-bis(oxidanyl)phenyl]-4-propyl-cyclohexen-1-yl]propanoic acid

Systemtic Name: 2-[2-[4-heptan-3-yl-2,6-bis(oxidanyl)phenyl]-4-propyl-cyclohexen-1-yl]propanoic acid Openeye Name: 2-[2-[4-(1-ethylpentyl)-2,6-dihydroxy-phenyl]-4-propyl-cyclohexen-1-yl]propanoic acid CAS Name: 2-[2-(4-heptan-3-yl-2,6-dihydroxyphenyl)-4-propyl-1-cyclohexenyl]propanoic acid IUPAC Name: 2-[2-(4-heptan-3-yl-2,6-dihydroxyphenyl)-4-propylcyclohexen-1-yl]propanoic acid Traditional Name: 2-[2-[4-(1-ethylpentyl)-2,6-dihydroxy-phenyl]-4-propyl-cyclohexen-1-yl]propionic acid Formula: C25H38O4 MolecularWeight: 402.56682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38O4/c1-5-8-10-18(7-3)19-14-22(26)24(23(27)15-19)21-13-17(9-6-2)11-12-20(21)16(4)25(28)29/h14-18,26-27H,5-13H2,1-4H3,(H,28,29)