4-[[3-cyclohexyl-1-(2,4-dimethylphenyl)propyl]-oxidanyl-phosphoryl]-3-oxidanyl-butanoic acid

Systemtic Name: 4-[[3-cyclohexyl-1-(2,4-dimethylphenyl)propyl]-oxidanyl-phosphoryl]-3-oxidanyl-butanoic acid Openeye Name: 4-[[3-cyclohexyl-1-(2,4-dimethylphenyl)propyl]-hydroxy-phosphoryl]-3-hydroxy-butanoic acid CAS Name: 4-[[3-cyclohexyl-1-(2,4-dimethylphenyl)propyl]-hydroxyphosphoryl]-3-hydroxybutanoic acid IUPAC Name: 4-[[3-cyclohexyl-1-(2,4-dimethylphenyl)propyl]-hydroxyphosphoryl]-3-hydroxybutanoic acid Traditional Name: 4-[[3-cyclohexyl-1-(2,4-dimethylphenyl)propyl]-hydroxy-phosphoryl]-3-hydroxy-butyric acid Formula: C21H33O5P MolecularWeight: 396.457481

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(CCC2CCCCC2)P(=O)(CC(CC(=O)O)O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(CCC2CCCCC2)P(=O)(CC(CC(=O)O)O)O)C

InChI

InChI=1S/C21H33O5P/c1-15-8-10-19(16(2)12-15)20(11-9-17-6-4-3-5-7-17)27(25,26)14-18(22)13-21(23)24/h8,10,12,17-18,20,22H,3-7,9,11,13-14H2,1-2H3,(H,23,24)(H,25,26)