6-cyano-3,4-bis(sulfocarbonyl)benzene-1,2-disulfonic acid

Systemtic Name: 6-cyano-3,4-bis(sulfocarbonyl)benzene-1,2-disulfonic acid Openeye Name: 6-cyano-3,4-bis(sulfocarbonyl)benzene-1,2-disulfonic acid CAS Name: 6-cyano-3,4-bis[oxo(sulfo)methyl]benzene-1,2-disulfonic acid IUPAC Name: 6-cyano-3,4-bis(sulfocarbonyl)benzene-1,2-disulfonic acid Traditional Name: 6-cyano-3,4-bis(sulfocarbonyl)benzene-1,2-disulfonic acid Formula: C9H5NO14S4 MolecularWeight: 479.3943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H5NO14S4/c10-2-3-1-4(8(11)27(19,20)21)5(9(12)28(22,23)24)7(26(16,17)18)6(3)25(13,14)15/h1H,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)