3-[2-chloranyl-6-[(2Z,4E)-5-(2,6-dimethyl-3-oxidanylidene-cyclohexyl)-3-methyl-penta-2,4-dienyl]-4-methanoyl-3-methyl-5-oxidanyl-phenoxy]propanoic acid

Systemtic Name: 3-[2-chloranyl-6-[(2Z,4E)-5-(2,6-dimethyl-3-oxidanylidene-cyclohexyl)-3-methyl-penta-2,4-dienyl]-4-methanoyl-3-methyl-5-oxidanyl-phenoxy]propanoic acid Openeye Name: 3-[2-chloro-6-[(2Z,4E)-5-(2,6-dimethyl-3-oxo-cyclohexyl)-3-methyl-penta-2,4-dienyl]-4-formyl-5-hydroxy-3-methyl-phenoxy]propanoic acid CAS Name: 3-[2-chloro-6-[(2Z,4E)-5-(2,6-dimethyl-3-oxocyclohexyl)-3-methylpenta-2,4-dienyl]-4-formyl-5-hydroxy-3-methylphenoxy]propanoic acid IUPAC Name: 3-[2-chloro-6-[(2Z,4E)-5-(2,6-dimethyl-3-oxocyclohexyl)-3-methylpenta-2,4-dienyl]-4-formyl-5-hydroxy-3-methylphenoxy]propanoic acid Traditional Name: 3-[2-chloro-4-formyl-5-hydroxy-6-[(2Z,4E)-5-(3-keto-2,6-dimethyl-cyclohexyl)-3-methyl-penta-2,4-dienyl]-3-methyl-phenoxy]propionic acid Formula: C25H31ClO6 MolecularWeight: 462.96304

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(=O)C(C1C=CC(=CCC2=C(C(=C(C(=C2OCCC(=O)O)Cl)C)C=O)O)C)C

Isomeric SMILES

CC1CCC(=O)C(C1/C=C/C(=C\CC2=C(C(=C(C(=C2OCCC(=O)O)Cl)C)C=O)O)/C)C

InChI

InChI=1S/C25H31ClO6/c1-14(5-8-18-15(2)7-10-21(28)16(18)3)6-9-19-24(31)20(13-27)17(4)23(26)25(19)32-12-11-22(29)30/h5-6,8,13,15-16,18,31H,7,9-12H2,1-4H3,(H,29,30)/b8-5+,14-6-