[1-[2,2-bis(2-azanylethyl)piperazin-1-yl]-4-phosphono-butyl]phosphonic acid

Systemtic Name: [1-[2,2-bis(2-azanylethyl)piperazin-1-yl]-4-phosphono-butyl]phosphonic acid Openeye Name: [1-[2,2-bis(2-aminoethyl)piperazin-1-yl]-4-phosphono-butyl]phosphonic acid CAS Name: [1-[2,2-bis(2-aminoethyl)-1-piperazinyl]-4-phosphonobutyl]phosphonic acid IUPAC Name: [1-[2,2-bis(2-aminoethyl)piperazin-1-yl]-4-phosphonobutyl]phosphonic acid Traditional Name: [1-[2,2-bis(2-aminoethyl)piperazino]-4-phosphono-butyl]phosphonic acid Formula: C12H30N4O6P2 MolecularWeight: 388.337322

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)(CCN)CCN)C(CCCP(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1CN(C(CN1)(CCN)CCN)C(CCCP(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C12H30N4O6P2/c13-5-3-12(4-6-14)10-15-7-8-16(12)11(24(20,21)22)2-1-9-23(17,18)19/h11,15H,1-10,13-14H2,(H2,17,18,19)(H2,20,21,22)