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

Systemtic Name: (3,3-dimethyl-4-oxidanylidene-4-phenyl-1-phosphono-butyl)phosphonic acid Openeye Name: (3,3-dimethyl-4-oxo-4-phenyl-1-phosphono-butyl)phosphonic acid CAS Name: (3,3-dimethyl-4-oxo-4-phenyl-1-phosphonobutyl)phosphonic acid IUPAC Name: (3,3-dimethyl-4-oxo-4-phenyl-1-phosphonobutyl)phosphonic acid Traditional Name: (4-keto-3,3-dimethyl-4-phenyl-1-phosphono-butyl)phosphonic acid Formula: C12H18O7P2 MolecularWeight: 336.214642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18O7P2/c1-12(2,11(13)9-6-4-3-5-7-9)8-10(20(14,15)16)21(17,18)19/h3-7,10H,8H2,1-2H3,(H2,14,15,16)(H2,17,18,19)