5-(benzotriazol-1-ylmethylamino)naphthalene-1-sulfonate

Systemtic Name: 5-(benzotriazol-1-ylmethylamino)naphthalene-1-sulfonate Openeye Name: 5-(benzotriazol-1-ylmethylamino)naphthalene-1-sulfonate CAS Name: 5-(1-benzotriazolylmethylamino)-1-naphthalenesulfonate IUPAC Name: 5-(benzotriazol-1-ylmethylamino)naphthalene-1-sulfonate Traditional Name: 5-(benzotriazol-1-ylmethylamino)naphthalene-1-sulfonate Formula: C17H13N4O3S- MolecularWeight: 353.37512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CNC3=CC=CC4=C3C=CC=C4S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CNC3=CC=CC4=C3C=CC=C4S(=O)(=O)[O-]

InChI

InChI=1S/C17H14N4O3S/c22-25(23,24)17-10-4-5-12-13(17)6-3-8-14(12)18-11-21-16-9-2-1-7-15(16)19-20-21/h1-10,18H,11H2,(H,22,23,24)/p-1