[[3-[3,4-bis(oxidanyl)phenyl]propylamino]-phosphono-methyl]phosphonic acid

Systemtic Name: [[3-[3,4-bis(oxidanyl)phenyl]propylamino]-phosphono-methyl]phosphonic acid Openeye Name: [[3-(3,4-dihydroxyphenyl)propylamino]-phosphono-methyl]phosphonic acid CAS Name: [[3-(3,4-dihydroxyphenyl)propylamino]-phosphonomethyl]phosphonic acid IUPAC Name: [[3-(3,4-dihydroxyphenyl)propylamino]-phosphonomethyl]phosphonic acid Traditional Name: [[3-(3,4-dihydroxyphenyl)propylamino]-phosphono-methyl]phosphonic acid Formula: C10H17NO8P2 MolecularWeight: 341.191402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CCCNC(P(=O)(O)O)P(=O)(O)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1CCCNC(P(=O)(O)O)P(=O)(O)O)O)O

InChI

InChI=1S/C10H17NO8P2/c12-8-4-3-7(6-9(8)13)2-1-5-11-10(20(14,15)16)21(17,18)19/h3-4,6,10-13H,1-2,5H2,(H2,14,15,16)(H2,17,18,19)