4-[2-[2-(3,4-dichlorophenyl)-6,6-dimethyl-cyclohexen-1-yl]ethyl-oxidanyl-phosphoryl]-3-oxidanyl-butanoic acid

Systemtic Name: 4-[2-[2-(3,4-dichlorophenyl)-6,6-dimethyl-cyclohexen-1-yl]ethyl-oxidanyl-phosphoryl]-3-oxidanyl-butanoic acid Openeye Name: 4-[2-[2-(3,4-dichlorophenyl)-6,6-dimethyl-cyclohexen-1-yl]ethyl-hydroxy-phosphoryl]-3-hydroxy-butanoic acid CAS Name: 4-[2-[2-(3,4-dichlorophenyl)-6,6-dimethyl-1-cyclohexenyl]ethyl-hydroxyphosphoryl]-3-hydroxybutanoic acid IUPAC Name: 4-[2-[2-(3,4-dichlorophenyl)-6,6-dimethylcyclohexen-1-yl]ethyl-hydroxyphosphoryl]-3-hydroxybutanoic acid Traditional Name: 4-[2-[2-(3,4-dichlorophenyl)-6,6-dimethyl-cyclohexen-1-yl]ethyl-hydroxy-phosphoryl]-3-hydroxy-butyric acid Formula: C20H27Cl2O5P MolecularWeight: 449.305141

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(=C1CCP(=O)(CC(CC(=O)O)O)O)C2=CC(=C(C=C2)Cl)Cl)C

Isomeric SMILES

CC1(CCCC(=C1CCP(=O)(CC(CC(=O)O)O)O)C2=CC(=C(C=C2)Cl)Cl)C

InChI

InChI=1S/C20H27Cl2O5P/c1-20(2)8-3-4-15(13-5-6-17(21)18(22)10-13)16(20)7-9-28(26,27)12-14(23)11-19(24)25/h5-6,10,14,23H,3-4,7-9,11-12H2,1-2H3,(H,24,25)(H,26,27)