6-(3-azanylpropylamino)cyclohexa-1,5-diene-1-sulfonic acid

Systemtic Name: 6-(3-azanylpropylamino)cyclohexa-1,5-diene-1-sulfonic acid Openeye Name: 6-(3-aminopropylamino)cyclohexa-1,5-diene-1-sulfonic acid CAS Name: 6-(3-aminopropylamino)-1-cyclohexa-1,5-dienesulfonic acid IUPAC Name: 6-(3-aminopropylamino)cyclohexa-1,5-diene-1-sulfonic acid Traditional Name: 6-(3-aminopropylamino)cyclohexa-1,5-diene-1-sulfonic acid Formula: C9H16N2O3S MolecularWeight: 232.29994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16N2O3S/c10-6-3-7-11-8-4-1-2-5-9(8)15(12,13)14/h4-5,11H,1-3,6-7,10H2,(H,12,13,14)