4-phenylazanylhexane-1-sulfonic acid

Systemtic Name: 4-phenylazanylhexane-1-sulfonic acid Openeye Name: 4-anilinohexane-1-sulfonic acid CAS Name: 4-anilino-1-hexanesulfonic acid IUPAC Name: 4-anilinohexane-1-sulfonic acid Traditional Name: 4-anilinohexane-1-sulfonic acid Formula: C12H19NO3S MolecularWeight: 257.34916

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCS(=O)(=O)O)NC1=CC=CC=C1

Isomeric SMILES

CCC(CCCS(=O)(=O)O)NC1=CC=CC=C1

InChI

InChI=1S/C12H19NO3S/c1-2-11(9-6-10-17(14,15)16)13-12-7-4-3-5-8-12/h3-5,7-8,11,13H,2,6,9-10H2,1H3,(H,14,15,16)