2-azanyl-4-(3-sulfopropanoyl)cyclohexa-1,3-diene-1-sulfonic acid

Systemtic Name: 2-azanyl-4-(3-sulfopropanoyl)cyclohexa-1,3-diene-1-sulfonic acid Openeye Name: 2-amino-4-(3-sulfopropanoyl)cyclohexa-1,3-diene-1-sulfonic acid CAS Name: 2-amino-4-(1-oxo-3-sulfopropyl)-1-cyclohexa-1,3-dienesulfonic acid IUPAC Name: 2-amino-4-(3-sulfopropanoyl)cyclohexa-1,3-diene-1-sulfonic acid Traditional Name: 2-amino-4-(3-sulfopropanoyl)cyclohexa-1,3-diene-1-sulfonic acid Formula: C9H13NO7S2 MolecularWeight: 311.33202

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C=C1C(=O)CCS(=O)(=O)O)N)S(=O)(=O)O

Isomeric SMILES

C1CC(=C(C=C1C(=O)CCS(=O)(=O)O)N)S(=O)(=O)O

InChI

InChI=1S/C9H13NO7S2/c10-7-5-6(1-2-9(7)19(15,16)17)8(11)3-4-18(12,13)14/h5H,1-4,10H2,(H,12,13,14)(H,15,16,17)