[2-(phosphonomethyl)-2,7-bis(phosphonomethylamino)heptyl]phosphonic acid

Systemtic Name: [2-(phosphonomethyl)-2,7-bis(phosphonomethylamino)heptyl]phosphonic acid Openeye Name: [[1,1-bis(phosphonomethyl)-6-(phosphonomethylamino)hexyl]amino]methylphosphonic acid CAS Name: [2-(phosphonomethyl)-2,7-bis(phosphonomethylamino)heptyl]phosphonic acid IUPAC Name: [2-(phosphonomethyl)-2,7-bis(phosphonomethylamino)heptyl]phosphonic acid Traditional Name: [[1,1-bis(phosphonomethyl)-6-(phosphonomethylamino)hexyl]amino]methylphosphonic acid Formula: C10H28N2O12P4 MolecularWeight: 492.230564

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Descriptors Computed from Structure

Canonical SMILES:

C(CCC(CP(=O)(O)O)(CP(=O)(O)O)NCP(=O)(O)O)CCNCP(=O)(O)O

Isomeric SMILES

C(CCC(CP(=O)(O)O)(CP(=O)(O)O)NCP(=O)(O)O)CCNCP(=O)(O)O

InChI

InChI=1S/C10H28N2O12P4/c13-25(14,15)6-10(7-26(16,17)18,12-9-28(22,23)24)4-2-1-3-5-11-8-27(19,20)21/h11-12H,1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)