1-oxidanidyl-1-oxidanylidene-3-phenyl-3H-[1,2]oxaphospholo[4,3-b]chromen-9-one; (phenylmethyl)azanium

Systemtic Name: 1-oxidanidyl-1-oxidanylidene-3-phenyl-3H-[1,2]oxaphospholo[4,3-b]chromen-9-one; (phenylmethyl)azanium Openeye Name: benzylammonium; 1-oxido-1-oxo-3-phenyl-3H-oxaphospholo[4,3-b]chromen-9-one CAS Name: 1-oxido-1-oxo-3-phenyl-3H-oxaphospholo[4,3-b][1]benzopyran-9-one; (phenylmethyl)ammonium IUPAC Name: benzylazanium; 1-oxido-1-oxo-3-phenyl-3H-oxaphospholo[4,3-b]chromen-9-one Traditional Name: benzylammonium; 1-keto-1-oxido-3-phenyl-3H-oxaphospholo[4,3-b]chromen-9-one Formula: C23H20NO5P MolecularWeight: 421.382361

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH3+].C1=CC=C(C=C1)C2C3=C(C(=O)C4=CC=CC=C4O3)P(=O)(O2)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[NH3+].C1=CC=C(C=C1)C2C3=C(C(=O)C4=CC=CC=C4O3)P(=O)(O2)[O-]

InChI

InChI=1S/C16H11O5P.C7H9N/c17-13-11-8-4-5-9-12(11)20-15-14(10-6-2-1-3-7-10)21-22(18,19)16(13)15;8-6-7-4-2-1-3-5-7/h1-9,14H,(H,18,19);1-5H,6,8H2