3-azanyl-3-nitro-6-phenylazanyl-cyclohexa-1,5-diene-1-sulfonic acid

Systemtic Name: 3-azanyl-3-nitro-6-phenylazanyl-cyclohexa-1,5-diene-1-sulfonic acid Openeye Name: 3-amino-6-anilino-3-nitro-cyclohexa-1,5-diene-1-sulfonic acid CAS Name: 3-amino-6-anilino-3-nitro-1-cyclohexa-1,5-dienesulfonic acid IUPAC Name: 3-amino-6-anilino-3-nitrocyclohexa-1,5-diene-1-sulfonic acid Traditional Name: 3-amino-6-anilino-3-nitro-cyclohexa-1,5-diene-1-sulfonic acid Formula: C12H13N3O5S MolecularWeight: 311.31372

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C(=CC1(N)[N+](=O)[O-])S(=O)(=O)O)NC2=CC=CC=C2

Isomeric SMILES

C1C=C(C(=CC1(N)[N+](=O)[O-])S(=O)(=O)O)NC2=CC=CC=C2

InChI

InChI=1S/C12H13N3O5S/c13-12(15(16)17)7-6-10(11(8-12)21(18,19)20)14-9-4-2-1-3-5-9/h1-6,8,14H,7,13H2,(H,18,19,20)