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

Systemtic Name: 6-azanyl-4-(2,4-dimethoxyphenyl)-3-nitro-6-oxidanylidene-hexane-1-sulfinic acid Openeye Name: 6-amino-4-(2,4-dimethoxyphenyl)-3-nitro-6-oxo-hexane-1-sulfinic acid CAS Name: 6-amino-4-(2,4-dimethoxyphenyl)-3-nitro-6-oxo-1-hexanesulfinic acid IUPAC Name: 6-amino-4-(2,4-dimethoxyphenyl)-3-nitro-6-oxohexane-1-sulfinic acid Traditional Name: 6-amino-4-(2,4-dimethoxyphenyl)-6-keto-3-nitro-hexane-1-sulfinic acid Formula: C14H20N2O7S MolecularWeight: 360.3828

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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)