6-azanyl-4-(2,4-dimethoxyphenyl)-3-nitro-6-oxidanylidene-hexane-1-sulfinate

Systemtic Name: 6-azanyl-4-(2,4-dimethoxyphenyl)-3-nitro-6-oxidanylidene-hexane-1-sulfinate Openeye Name: 6-amino-4-(2,4-dimethoxyphenyl)-3-nitro-6-oxo-hexane-1-sulfinate CAS Name: 6-amino-4-(2,4-dimethoxyphenyl)-3-nitro-6-oxo-1-hexanesulfinate IUPAC Name: 6-amino-4-(2,4-dimethoxyphenyl)-3-nitro-6-oxohexane-1-sulfinate Traditional Name: 6-amino-4-(2,4-dimethoxyphenyl)-6-keto-3-nitro-hexane-1-sulfinate Formula: C14H19N2O7S- MolecularWeight: 359.37486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(CC(=O)N)C(CCS(=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(CC(=O)N)C(CCS(=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C14H20N2O7S/c1-22-9-3-4-10(13(7-9)23-2)11(8-14(15)17)12(16(18)19)5-6-24(20)21/h3-4,7,11-12H,5-6,8H2,1-2H3,(H2,15,17)(H,20,21)/p-1