4-azanyl-4-ethyl-3-nitro-3-oxidanyl-cyclohexa-1,5-diene-1-sulfonic acid

Systemtic Name: 4-azanyl-4-ethyl-3-nitro-3-oxidanyl-cyclohexa-1,5-diene-1-sulfonic acid Openeye Name: 4-amino-4-ethyl-3-hydroxy-3-nitro-cyclohexa-1,5-diene-1-sulfonic acid CAS Name: 4-amino-4-ethyl-3-hydroxy-3-nitro-1-cyclohexa-1,5-dienesulfonic acid IUPAC Name: 4-amino-4-ethyl-3-hydroxy-3-nitrocyclohexa-1,5-diene-1-sulfonic acid Traditional Name: 4-amino-4-ethyl-3-hydroxy-3-nitro-cyclohexa-1,5-diene-1-sulfonic acid Formula: C8H12N2O6S MolecularWeight: 264.25568

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C=CC(=CC1([N+](=O)[O-])O)S(=O)(=O)O)N

Isomeric SMILES

CCC1(C=CC(=CC1([N+](=O)[O-])O)S(=O)(=O)O)N

InChI

InChI=1S/C8H12N2O6S/c1-2-7(9)4-3-6(17(14,15)16)5-8(7,11)10(12)13/h3-5,11H,2,9H2,1H3,(H,14,15,16)