4-(3-azanylpropyl)benzenesulfonic acid

Systemtic Name: 4-(3-azanylpropyl)benzenesulfonic acid Openeye Name: 4-(3-aminopropyl)benzenesulfonic acid CAS Name: 4-(3-aminopropyl)benzenesulfonic acid IUPAC Name: 4-(3-aminopropyl)benzenesulfonic acid Traditional Name: 4-(3-aminopropyl)besylic acid Formula: C9H13NO3S MolecularWeight: 215.26942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCN)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCCN)S(=O)(=O)O

InChI

InChI=1S/C9H13NO3S/c10-7-1-2-8-3-5-9(6-4-8)14(11,12)13/h3-6H,1-2,7,10H2,(H,11,12,13)