2-(1,6-dimethyl-3-nitro-2-oxidanylidene-4-phenylsulfanyl-pyridin-1-ium-1-yl)ethanoic acid

Systemtic Name: 2-(1,6-dimethyl-3-nitro-2-oxidanylidene-4-phenylsulfanyl-pyridin-1-ium-1-yl)ethanoic acid Openeye Name: 2-(1,6-dimethyl-3-nitro-2-oxo-4-phenylsulfanyl-pyridin-1-ium-1-yl)acetic acid CAS Name: 2-[1,6-dimethyl-3-nitro-2-oxo-4-(phenylthio)-1-pyridin-1-iumyl]acetic acid IUPAC Name: 2-(1,6-dimethyl-3-nitro-2-oxo-4-phenylsulfanylpyridin-1-ium-1-yl)acetic acid Traditional Name: 2-[2-keto-1,6-dimethyl-3-nitro-4-(phenylthio)pyridin-1-ium-1-yl]acetic acid Formula: C15H15N2O5S+ MolecularWeight: 335.355

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)[N+]1(C)CC(=O)O)[N+](=O)[O-])SC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C(=O)[N+]1(C)CC(=O)O)[N+](=O)[O-])SC2=CC=CC=C2

InChI

InChI=1S/C15H14N2O5S/c1-10-8-12(23-11-6-4-3-5-7-11)14(16(21)22)15(20)17(10,2)9-13(18)19/h3-8H,9H2,1-2H3/p+1