2-(6H-benzo[b][1,5]benzoxathiepin-6-yl)ethyl-methyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 2-(6H-benzo[b][1,5]benzoxathiepin-6-yl)ethyl-methyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-(6H-benzo[b][1,5]benzoxathiepin-6-yl)ethyl-methyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 2-(6H-benzo[b][1,5]benzoxathiepin-6-yl)ethyl-methylammonium; 2-hydroxy-2-oxoacetate IUPAC Name: 2-(6H-benzo[b][1,5]benzoxathiepin-6-yl)ethyl-methylazanium; 2-hydroxy-2-oxoacetate Traditional Name: 2-(6H-benzo[b][1,5]benzoxathiepin-6-yl)ethyl-methyl-ammonium binoxalate Formula: C18H19NO5S MolecularWeight: 361.41216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CCC1C2=CC=CC=C2OC3=CC=CC=C3S1.C(=O)(C(=O)[O-])O

Isomeric SMILES

C[NH2+]CCC1C2=CC=CC=C2OC3=CC=CC=C3S1.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C16H17NOS.C2H2O4/c1-17-11-10-15-12-6-2-3-7-13(12)18-14-8-4-5-9-16(14)19-15;3-1(4)2(5)6/h2-9,15,17H,10-11H2,1H3;(H,3,4)(H,5,6)