(3-methyl-4-oxidanylidene-4-phenyl-1-phosphono-butyl)phosphonic acid

Systemtic Name: (3-methyl-4-oxidanylidene-4-phenyl-1-phosphono-butyl)phosphonic acid Openeye Name: (3-methyl-4-oxo-4-phenyl-1-phosphono-butyl)phosphonic acid CAS Name: (3-methyl-4-oxo-4-phenyl-1-phosphonobutyl)phosphonic acid IUPAC Name: (3-methyl-4-oxo-4-phenyl-1-phosphonobutyl)phosphonic acid Traditional Name: (4-keto-3-methyl-4-phenyl-1-phosphono-butyl)phosphonic acid Formula: C11H16O7P2 MolecularWeight: 322.188062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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