5-(dimethylamino)naphthalene-1-sulfonic acid hydrate

Systemtic Name: 5-(dimethylamino)naphthalene-1-sulfonic acid hydrate Openeye Name: 5-(dimethylamino)naphthalene-1-sulfonic acid hydrate CAS Name: 5-(dimethylamino)-1-naphthalenesulfonic acid hydrate IUPAC Name: 5-(dimethylamino)naphthalene-1-sulfonic acid hydrate Traditional Name: naphthionic acid hydrate Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)O.O

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)O.O

InChI

InChI=1S/C12H13NO3S.H2O/c1-13(2)11-7-3-6-10-9(11)5-4-8-12(10)17(14,15)16;/h3-8H,1-2H3,(H,14,15,16);1H2