6-chloranyl-4-nitro-2-oxidanylidene-1,3-benzoxathiol-5-olate; methyl-(phenylmethyl)azanium

Systemtic Name: 6-chloranyl-4-nitro-2-oxidanylidene-1,3-benzoxathiol-5-olate; methyl-(phenylmethyl)azanium Openeye Name: benzyl(methyl)ammonium; 6-chloro-4-nitro-2-oxo-1,3-benzoxathiol-5-olate CAS Name: 6-chloro-4-nitro-2-oxo-1,3-benzoxathiol-5-olate; methyl-(phenylmethyl)ammonium IUPAC Name: benzyl(methyl)azanium; 6-chloro-4-nitro-2-oxo-1,3-benzoxathiol-5-olate Traditional Name: benzyl(methyl)ammonium; 6-chloro-2-keto-4-nitro-1,3-benzoxathiol-5-olate Formula: C15H13ClN2O5S MolecularWeight: 368.79212

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC1=CC=CC=C1.C1=C2C(=C(C(=C1Cl)[O-])[N+](=O)[O-])SC(=O)O2

Isomeric SMILES

C[NH2+]CC1=CC=CC=C1.C1=C2C(=C(C(=C1Cl)[O-])[N+](=O)[O-])SC(=O)O2

InChI

InChI=1S/C8H11N.C7H2ClNO5S/c1-9-7-8-5-3-2-4-6-8;8-2-1-3-6(15-7(11)14-3)4(5(2)10)9(12)13/h2-6,9H,7H2,1H3;1,10H