aniline; buta-1,3-dien-2-yl-[methyl(oxidanyl)phosphoryl]oxy-phosphinic acid

Systemtic Name: aniline; buta-1,3-dien-2-yl-[methyl(oxidanyl)phosphoryl]oxy-phosphinic acid Openeye Name: aniline; [hydroxy(1-methyleneallyl)phosphoryl]oxy-methyl-phosphinic acid CAS Name: aniline; buta-1,3-dien-2-yl-[hydroxy(methyl)phosphoryl]oxyphosphinic acid IUPAC Name: aniline; buta-1,3-dien-2-yl-[hydroxy(methyl)phosphoryl]oxyphosphinic acid Traditional Name: [hydroxy(1-methyleneallyl)phosphoryl]oxy-methyl-phosphinic acid; phenylamine Formula: C11H17NO5P2 MolecularWeight: 305.203902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CP(=O)(O)OP(=O)(C(=C)C=C)O.C1=CC=C(C=C1)N

Isomeric SMILES

CP(=O)(O)OP(=O)(C(=C)C=C)O.C1=CC=C(C=C1)N

InChI

InChI=1S/C6H7N.C5H10O5P2/c7-6-4-2-1-3-5-6;1-4-5(2)12(8,9)10-11(3,6)7/h1-5H,7H2;4H,1-2H2,3H3,(H,6,7)(H,8,9)