[[(3-ethylphenyl)amino]-phosphono-methyl]phosphonic acid

Systemtic Name: [[(3-ethylphenyl)amino]-phosphono-methyl]phosphonic acid Openeye Name: [(3-ethylanilino)-phosphono-methyl]phosphonic acid CAS Name: [(3-ethylanilino)-phosphonomethyl]phosphonic acid IUPAC Name: [(3-ethylanilino)-phosphonomethyl]phosphonic acid Traditional Name: [(3-ethylanilino)-phosphono-methyl]phosphonic acid Formula: C9H15NO6P2 MolecularWeight: 295.166022

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCC1=CC(=CC=C1)NC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C9H15NO6P2/c1-2-7-4-3-5-8(6-7)10-9(17(11,12)13)18(14,15)16/h3-6,9-10H,2H2,1H3,(H2,11,12,13)(H2,14,15,16)