3-cyano-3-[(2-cyano-4-oxidanylidene-4-sulfo-butan-2-yl)diazenyl]-1-oxidanylidene-butane-1-sulfonic acid

Systemtic Name: 3-cyano-3-[(2-cyano-4-oxidanylidene-4-sulfo-butan-2-yl)diazenyl]-1-oxidanylidene-butane-1-sulfonic acid Openeye Name: 3-cyano-3-(1-cyano-1-methyl-3-oxo-3-sulfo-propyl)azo-1-oxo-butane-1-sulfonic acid CAS Name: 3-cyano-3-(2-cyano-4-oxo-4-sulfobutan-2-yl)azo-1-oxo-1-butanesulfonic acid IUPAC Name: 3-cyano-3-[(2-cyano-4-oxo-4-sulfobutan-2-yl)diazenyl]-1-oxobutane-1-sulfonic acid Traditional Name: 3-cyano-3-(1-cyano-3-keto-1-methyl-3-sulfo-propyl)azo-1-keto-butane-1-sulfonic acid Formula: C10H12N4O8S2 MolecularWeight: 380.35428

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)S(=O)(=O)O)(C#N)N=NC(C)(CC(=O)S(=O)(=O)O)C#N

Isomeric SMILES

CC(CC(=O)S(=O)(=O)O)(C#N)N=NC(C)(CC(=O)S(=O)(=O)O)C#N

InChI

InChI=1S/C10H12N4O8S2/c1-9(5-11,3-7(15)23(17,18)19)13-14-10(2,6-12)4-8(16)24(20,21)22/h3-4H2,1-2H3,(H,17,18,19)(H,20,21,22)