3-azanyl-5-chloranyl-6-methyl-3-nitro-cyclohexa-1,4-diene-1-sulfonic acid

Systemtic Name: 3-azanyl-5-chloranyl-6-methyl-3-nitro-cyclohexa-1,4-diene-1-sulfonic acid Openeye Name: 3-amino-5-chloro-6-methyl-3-nitro-cyclohexa-1,4-diene-1-sulfonic acid CAS Name: 3-amino-5-chloro-6-methyl-3-nitro-1-cyclohexa-1,4-dienesulfonic acid IUPAC Name: 3-amino-5-chloro-6-methyl-3-nitrocyclohexa-1,4-diene-1-sulfonic acid Traditional Name: 3-amino-5-chloro-6-methyl-3-nitro-cyclohexa-1,4-diene-1-sulfonic acid Formula: C7H9ClN2O5S MolecularWeight: 268.67476

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=CC(C=C1Cl)(N)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

CC1C(=CC(C=C1Cl)(N)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C7H9ClN2O5S/c1-4-5(8)2-7(9,10(11)12)3-6(4)16(13,14)15/h2-4H,9H2,1H3,(H,13,14,15)