[2,8-bis(azanyl)-4-isocyanato-3-oxidanylidene-1-phenyl-octan-2-yl]phosphonic acid

Systemtic Name: [2,8-bis(azanyl)-4-isocyanato-3-oxidanylidene-1-phenyl-octan-2-yl]phosphonic acid Openeye Name: (1,7-diamino-1-benzyl-3-isocyanato-2-oxo-heptyl)phosphonic acid CAS Name: (2,8-diamino-4-isocyanato-3-oxo-1-phenyloctan-2-yl)phosphonic acid IUPAC Name: (2,8-diamino-4-isocyanato-3-oxo-1-phenyloctan-2-yl)phosphonic acid Traditional Name: (1,7-diamino-1-benzyl-3-isocyanato-2-keto-heptyl)phosphonic acid Formula: C15H22N3O5P MolecularWeight: 355.326041

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)C(CCCCN)N=C=O)(N)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)C(CCCCN)N=C=O)(N)P(=O)(O)O

InChI

InChI=1S/C15H22N3O5P/c16-9-5-4-8-13(18-11-19)14(20)15(17,24(21,22)23)10-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-10,16-17H2,(H2,21,22,23)