8-(2-azaniumylethylamino)naphthalene-1-sulfonate

Systemtic Name: 8-(2-azaniumylethylamino)naphthalene-1-sulfonate Openeye Name: 8-(2-azaniumylethylamino)naphthalene-1-sulfonate CAS Name: 8-(2-ammonioethylamino)-1-naphthalenesulfonate IUPAC Name: 8-(2-azaniumylethylamino)naphthalene-1-sulfonate Traditional Name: 8-(2-ammonioethylamino)naphthalene-1-sulfonate Formula: C12H14N2O3S MolecularWeight: 266.31616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)NCC[NH3+])C(=CC=C2)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC2=C(C(=C1)NCC[NH3+])C(=CC=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C12H14N2O3S/c13-7-8-14-10-5-1-3-9-4-2-6-11(12(9)10)18(15,16)17/h1-6,14H,7-8,13H2,(H,15,16,17)