(6-phenyl-2-phosphono-octan-2-yl)phosphonic acid

Systemtic Name: (6-phenyl-2-phosphono-octan-2-yl)phosphonic acid Openeye Name: (1-methyl-5-phenyl-1-phosphono-heptyl)phosphonic acid CAS Name: (6-phenyl-2-phosphonooctan-2-yl)phosphonic acid IUPAC Name: (6-phenyl-2-phosphonooctan-2-yl)phosphonic acid Traditional Name: (1-methyl-5-phenyl-1-phosphono-heptyl)phosphonic acid Formula: C14H24O6P2 MolecularWeight: 350.284282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24O6P2/c1-3-12(13-8-5-4-6-9-13)10-7-11-14(2,21(15,16)17)22(18,19)20/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H2,15,16,17)(H2,18,19,20)