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

Systemtic Name: 7-methyl-1-oxidanidyl-1-oxidanylidene-3-phenyl-3H-[1,2]oxaphospholo[4,3-b]chromen-9-one; (phenylmethyl)azanium Openeye Name: benzylammonium; 7-methyl-1-oxido-1-oxo-3-phenyl-3H-oxaphospholo[4,3-b]chromen-9-one CAS Name: 7-methyl-1-oxido-1-oxo-3-phenyl-3H-oxaphospholo[4,3-b][1]benzopyran-9-one; (phenylmethyl)ammonium IUPAC Name: benzylazanium; 7-methyl-1-oxido-1-oxo-3-phenyl-3H-oxaphospholo[4,3-b]chromen-9-one Traditional Name: benzylammonium; 1-keto-7-methyl-1-oxido-3-phenyl-3H-oxaphospholo[4,3-b]chromen-9-one Formula: C24H22NO5P MolecularWeight: 435.408941

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C2=O)P(=O)(OC3C4=CC=CC=C4)[O-].C1=CC=C(C=C1)C[NH3+]

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C2=O)P(=O)(OC3C4=CC=CC=C4)[O-].C1=CC=C(C=C1)C[NH3+]

InChI

InChI=1S/C17H13O5P.C7H9N/c1-10-7-8-13-12(9-10)14(18)17-16(21-13)15(22-23(17,19)20)11-5-3-2-4-6-11;8-6-7-4-2-1-3-5-7/h2-9,15H,1H3,(H,19,20);1-5H,6,8H2