3-(8-chloranyl-6H-benzo[b][1,5]benzoxathiepin-6-yl)propyl-dimethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 3-(8-chloranyl-6H-benzo[b][1,5]benzoxathiepin-6-yl)propyl-dimethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 3-(8-chloro-6H-benzo[b][1,5]benzoxathiepin-6-yl)propyl-dimethyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 3-(8-chloro-6H-benzo[b][1,5]benzoxathiepin-6-yl)propyl-dimethylammonium; 2-hydroxy-2-oxoacetate IUPAC Name: 3-(8-chloro-6H-benzo[b][1,5]benzoxathiepin-6-yl)propyl-dimethylazanium; 2-hydroxy-2-oxoacetate Traditional Name: 3-(8-chloro-6H-benzo[b][1,5]benzoxathiepin-6-yl)propyl-dimethyl-ammonium binoxalate Formula: C20H22ClNO5S MolecularWeight: 423.91038

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCC1C2=C(C=CC(=C2)Cl)OC3=CC=CC=C3S1.C(=O)(C(=O)[O-])O

Isomeric SMILES

C[NH+](C)CCCC1C2=C(C=CC(=C2)Cl)OC3=CC=CC=C3S1.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C18H20ClNOS.C2H2O4/c1-20(2)11-5-8-17-14-12-13(19)9-10-15(14)21-16-6-3-4-7-18(16)22-17;3-1(4)2(5)6/h3-4,6-7,9-10,12,17H,5,8,11H2,1-2H3;(H,3,4)(H,5,6)