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

Systemtic Name: 3-(8-chloranyl-6-methyl-benzo[b][1,5]benzoxathiepin-6-yl)propyl-dimethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 3-(8-chloro-6-methyl-benzo[b][1,5]benzoxathiepin-6-yl)propyl-dimethyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 3-(8-chloro-6-methyl-6-benzo[b][1,5]benzoxathiepinyl)propyl-dimethylammonium; 2-hydroxy-2-oxoacetate IUPAC Name: 3-(8-chloro-6-methylbenzo[b][1,5]benzoxathiepin-6-yl)propyl-dimethylazanium; 2-hydroxy-2-oxoacetate Traditional Name: 3-(8-chloro-6-methyl-benzo[b][1,5]benzoxathiepin-6-yl)propyl-dimethyl-ammonium binoxalate Formula: C21H24ClNO5S MolecularWeight: 437.93696

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)Cl)OC3=CC=CC=C3S1)CCC[NH+](C)C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC1(C2=C(C=CC(=C2)Cl)OC3=CC=CC=C3S1)CCC[NH+](C)C.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C19H22ClNOS.C2H2O4/c1-19(11-6-12-21(2)3)15-13-14(20)9-10-16(15)22-17-7-4-5-8-18(17)23-19;3-1(4)2(5)6/h4-5,7-10,13H,6,11-12H2,1-3H3;(H,3,4)(H,5,6)