6-(2-azanylethylamino)cyclohexa-1,5-diene-1-sulfonic acid

Systemtic Name: 6-(2-azanylethylamino)cyclohexa-1,5-diene-1-sulfonic acid Openeye Name: 6-(2-aminoethylamino)cyclohexa-1,5-diene-1-sulfonic acid CAS Name: 6-(2-aminoethylamino)-1-cyclohexa-1,5-dienesulfonic acid IUPAC Name: 6-(2-aminoethylamino)cyclohexa-1,5-diene-1-sulfonic acid Traditional Name: 6-(2-aminoethylamino)cyclohexa-1,5-diene-1-sulfonic acid Formula: C8H14N2O3S MolecularWeight: 218.27336

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(C(=C1)NCCN)S(=O)(=O)O

Isomeric SMILES

C1CC=C(C(=C1)NCCN)S(=O)(=O)O

InChI

InChI=1S/C8H14N2O3S/c9-5-6-10-7-3-1-2-4-8(7)14(11,12)13/h3-4,10H,1-2,5-6,9H2,(H,11,12,13)