5-(2-azaniumylethylamino)naphthalene-1-sulfonate

Systemtic Name: 5-(2-azaniumylethylamino)naphthalene-1-sulfonate Openeye Name: 5-(2-azaniumylethylamino)naphthalene-1-sulfonate CAS Name: 5-(2-ammonioethylamino)-1-naphthalenesulfonate IUPAC Name: 5-(2-azaniumylethylamino)naphthalene-1-sulfonate Traditional Name: 5-(2-ammonioethylamino)naphthalene-1-sulfonate Formula: C12H14N2O3S MolecularWeight: 266.31616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)NCC[NH3+]

Isomeric SMILES

C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)NCC[NH3+]

InChI

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