3-(6H-benzo[b][1,5]benzoxathiepin-6-yl)propyl-dimethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 3-(6H-benzo[b][1,5]benzoxathiepin-6-yl)propyl-dimethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 3-(6H-benzo[b][1,5]benzoxathiepin-6-yl)propyl-dimethyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 3-(6H-benzo[b][1,5]benzoxathiepin-6-yl)propyl-dimethylammonium; 2-hydroxy-2-oxoacetate IUPAC Name: 3-(6H-benzo[b][1,5]benzoxathiepin-6-yl)propyl-dimethylazanium; 2-hydroxy-2-oxoacetate Traditional Name: 3-(6H-benzo[b][1,5]benzoxathiepin-6-yl)propyl-dimethyl-ammonium binoxalate Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCC1C2=CC=CC=C2OC3=CC=CC=C3S1.C(=O)(C(=O)[O-])O

Isomeric SMILES

C[NH+](C)CCCC1C2=CC=CC=C2OC3=CC=CC=C3S1.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C18H21NOS.C2H2O4/c1-19(2)13-7-12-17-14-8-3-4-9-15(14)20-16-10-5-6-11-18(16)21-17;3-1(4)2(5)6/h3-6,8-11,17H,7,12-13H2,1-2H3;(H,3,4)(H,5,6)