[4-(4-methylphenyl)-4-oxidanylidene-1-phosphono-butyl]phosphonic acid

Systemtic Name: [4-(4-methylphenyl)-4-oxidanylidene-1-phosphono-butyl]phosphonic acid Openeye Name: [4-oxo-1-phosphono-4-(p-tolyl)butyl]phosphonic acid CAS Name: [4-(4-methylphenyl)-4-oxo-1-phosphonobutyl]phosphonic acid IUPAC Name: [4-(4-methylphenyl)-4-oxo-1-phosphonobutyl]phosphonic acid Traditional Name: [4-keto-1-phosphono-4-(p-tolyl)butyl]phosphonic acid Formula: C11H16O7P2 MolecularWeight: 322.188062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16O7P2/c1-8-2-4-9(5-3-8)10(12)6-7-11(19(13,14)15)20(16,17)18/h2-5,11H,6-7H2,1H3,(H2,13,14,15)(H2,16,17,18)