1,1-bis(oxidanylidene)-1,2-benzothiazol-3-olate; dimethyl-[4-(2-oxidanyl-2-phenyl-ethanoyl)phenyl]azanium

Systemtic Name: 1,1-bis(oxidanylidene)-1,2-benzothiazol-3-olate; dimethyl-[4-(2-oxidanyl-2-phenyl-ethanoyl)phenyl]azanium Openeye Name: 1,1-dioxo-1,2-benzothiazol-3-olate; [4-(2-hydroxy-2-phenyl-acetyl)phenyl]-dimethyl-ammonium CAS Name: 1,1-dioxo-1,2-benzothiazol-3-olate; [4-(2-hydroxy-1-oxo-2-phenylethyl)phenyl]-dimethylammonium IUPAC Name: 1,1-dioxo-1,2-benzothiazol-3-olate; [4-(2-hydroxy-2-phenylacetyl)phenyl]-dimethylazanium Traditional Name: 1,1-diketo-1,2-benzothiazol-3-olate; (4-mandeloylphenyl)-dimethyl-ammonium Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)O.C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-]

Isomeric SMILES

C[NH+](C)C1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)O.C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-]

InChI

InChI=1S/C16H17NO2.C7H5NO3S/c1-17(2)14-10-8-13(9-11-14)16(19)15(18)12-6-4-3-5-7-12;9-7-5-3-1-2-4-6(5)12(10,11)8-7/h3-11,15,18H,1-2H3;1-4H,(H,8,9)