[4-(phosphonomethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]methylphosphonic acid

Systemtic Name: [4-(phosphonomethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]methylphosphonic acid Openeye Name: [4-(phosphonomethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]methylphosphonic acid CAS Name: [4-(phosphonomethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]methylphosphonic acid IUPAC Name: [4-(phosphonomethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]methylphosphonic acid Traditional Name: [4-(phosphonomethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]methylphosphonic acid Formula: C12H30N4O6P2 MolecularWeight: 388.337322

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNCCCN(CCN(C1)CP(=O)(O)O)CP(=O)(O)O

Isomeric SMILES

C1CNCCNCCCN(CCN(C1)CP(=O)(O)O)CP(=O)(O)O

InChI

InChI=1S/C12H30N4O6P2/c17-23(18,19)11-15-7-1-3-13-5-6-14-4-2-8-16(10-9-15)12-24(20,21)22/h13-14H,1-12H2,(H2,17,18,19)(H2,20,21,22)