(6-phenyl-1-phosphono-hexan-3-yl)phosphonic acid

Systemtic Name: (6-phenyl-1-phosphono-hexan-3-yl)phosphonic acid Openeye Name: [4-phenyl-1-(2-phosphonoethyl)butyl]phosphonic acid CAS Name: (6-phenyl-1-phosphonohexan-3-yl)phosphonic acid IUPAC Name: (6-phenyl-1-phosphonohexan-3-yl)phosphonic acid Traditional Name: [4-phenyl-1-(2-phosphonoethyl)butyl]phosphonic acid Formula: C12H20O6P2 MolecularWeight: 322.231122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20O6P2/c13-19(14,15)10-9-12(20(16,17)18)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H2,13,14,15)(H2,16,17,18)