(4-phenyl-4-phosphono-butan-2-yl)phosphonic acid

Systemtic Name: (4-phenyl-4-phosphono-butan-2-yl)phosphonic acid Openeye Name: (1-methyl-3-phenyl-3-phosphono-propyl)phosphonic acid CAS Name: (4-phenyl-4-phosphonobutan-2-yl)phosphonic acid IUPAC Name: (4-phenyl-4-phosphonobutan-2-yl)phosphonic acid Traditional Name: (1-methyl-3-phenyl-3-phosphono-propyl)phosphonic acid Formula: C10H16O6P2 MolecularWeight: 294.177962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H16O6P2/c1-8(17(11,12)13)7-10(18(14,15)16)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H2,11,12,13)(H2,14,15,16)