[4-(3,5-dimethylphenyl)-2-oxidanylidene-butyl]phosphonic acid

Systemtic Name: [4-(3,5-dimethylphenyl)-2-oxidanylidene-butyl]phosphonic acid Openeye Name: [4-(3,5-dimethylphenyl)-2-oxo-butyl]phosphonic acid CAS Name: [4-(3,5-dimethylphenyl)-2-oxobutyl]phosphonic acid IUPAC Name: [4-(3,5-dimethylphenyl)-2-oxobutyl]phosphonic acid Traditional Name: [4-(3,5-dimethylphenyl)-2-keto-butyl]phosphonic acid Formula: C12H17O4P MolecularWeight: 256.234741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CCC(=O)CP(=O)(O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)CCC(=O)CP(=O)(O)O)C

InChI

InChI=1S/C12H17O4P/c1-9-5-10(2)7-11(6-9)3-4-12(13)8-17(14,15)16/h5-7H,3-4,8H2,1-2H3,(H2,14,15,16)