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

Systemtic Name: 3-azanyl-2,4-disulfo-5-(sulfocarbamoyl)benzoic acid Openeye Name: 3-amino-2,4-disulfo-5-(sulfocarbamoyl)benzoic acid CAS Name: 3-amino-5-[oxo-(sulfoamino)methyl]-2,4-disulfobenzoic acid IUPAC Name: 3-amino-2,4-disulfo-5-(sulfocarbamoyl)benzoic acid Traditional Name: 3-amino-2,4-disulfo-5-(sulfocarbamoyl)benzoic acid Formula: C8H8N2O12S3 MolecularWeight: 420.35032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1C(=O)O)S(=O)(=O)O)N)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)S(=O)(=O)O)C(=O)NS(=O)(=O)O

InChI

InChI=1S/C8H8N2O12S3/c9-4-5(23(14,15)16)2(7(11)10-25(20,21)22)1-3(8(12)13)6(4)24(17,18)19/h1H,9H2,(H,10,11)(H,12,13)(H,14,15,16)(H,17,18,19)(H,20,21,22)