[3-[(3-iodanyl-4-methyl-phenyl)amino]-3-oxidanylidene-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-[(3-iodanyl-4-methyl-phenyl)amino]-3-oxidanylidene-1-phosphono-propyl]phosphonic acid Openeye Name: [3-(3-iodo-4-methyl-anilino)-3-oxo-1-phosphono-propyl]phosphonic acid CAS Name: [3-(3-iodo-4-methylanilino)-3-oxo-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-(3-iodo-4-methylanilino)-3-oxo-1-phosphonopropyl]phosphonic acid Traditional Name: [3-(3-iodo-4-methyl-anilino)-3-keto-1-phosphono-propyl]phosphonic acid Formula: C10H14INO7P2 MolecularWeight: 449.072652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC(P(=O)(O)O)P(=O)(O)O)I

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CC(P(=O)(O)O)P(=O)(O)O)I

InChI

InChI=1S/C10H14INO7P2/c1-6-2-3-7(4-8(6)11)12-9(13)5-10(20(14,15)16)21(17,18)19/h2-4,10H,5H2,1H3,(H,12,13)(H2,14,15,16)(H2,17,18,19)