3-nitro-2,4-disulfo-5-(sulfocarbamoyl)benzoic acid

Systemtic Name: 3-nitro-2,4-disulfo-5-(sulfocarbamoyl)benzoic acid Openeye Name: 3-nitro-2,4-disulfo-5-(sulfocarbamoyl)benzoic acid CAS Name: 3-nitro-5-[oxo-(sulfoamino)methyl]-2,4-disulfobenzoic acid IUPAC Name: 3-nitro-2,4-disulfo-5-(sulfocarbamoyl)benzoic acid Traditional Name: 3-nitro-2,4-disulfo-5-(sulfocarbamoyl)benzoic acid Formula: C8H6N2O14S3 MolecularWeight: 450.33324

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1C(=O)O)S(=O)(=O)O)[N+](=O)[O-])S(=O)(=O)O)C(=O)NS(=O)(=O)O

Isomeric SMILES

C1=C(C(=C(C(=C1C(=O)O)S(=O)(=O)O)[N+](=O)[O-])S(=O)(=O)O)C(=O)NS(=O)(=O)O

InChI

InChI=1S/C8H6N2O14S3/c11-7(9-27(22,23)24)2-1-3(8(12)13)6(26(19,20)21)4(10(14)15)5(2)25(16,17)18/h1H,(H,9,11)(H,12,13)(H,16,17,18)(H,19,20,21)(H,22,23,24)