1-(cyanomethoxysulfonyl)naphthalene-2-sulfonic acid

Systemtic Name: 1-(cyanomethoxysulfonyl)naphthalene-2-sulfonic acid Openeye Name: 1-(cyanomethoxysulfonyl)naphthalene-2-sulfonic acid CAS Name: 1-(cyanomethoxysulfonyl)-2-naphthalenesulfonic acid IUPAC Name: 1-(cyanomethoxysulfonyl)naphthalene-2-sulfonic acid Traditional Name: 1-(cyanomethoxysulfonyl)naphthalene-2-sulfonic acid Formula: C12H9NO6S2 MolecularWeight: 327.33296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)OCC#N)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)OCC#N)S(=O)(=O)O

InChI

InChI=1S/C12H9NO6S2/c13-7-8-19-21(17,18)12-10-4-2-1-3-9(10)5-6-11(12)20(14,15)16/h1-6H,8H2,(H,14,15,16)