3-[[2-(3-sulfopropyldisulfanyl)phenyl]amino]propane-1-sulfonic acid

Systemtic Name: 3-[[2-(3-sulfopropyldisulfanyl)phenyl]amino]propane-1-sulfonic acid Openeye Name: 3-[2-(3-sulfopropyldisulfanyl)anilino]propane-1-sulfonic acid CAS Name: 3-[2-(3-sulfopropyldisulfanyl)anilino]-1-propanesulfonic acid IUPAC Name: 3-[2-(3-sulfopropyldisulfanyl)anilino]propane-1-sulfonic acid Traditional Name: 3-[2-(3-sulfopropyldisulfanyl)anilino]propane-1-sulfonic acid Formula: C12H19NO6S4 MolecularWeight: 401.54236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NCCCS(=O)(=O)O)SSCCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)NCCCS(=O)(=O)O)SSCCCS(=O)(=O)O

InChI

InChI=1S/C12H19NO6S4/c14-22(15,16)9-3-7-13-11-5-1-2-6-12(11)21-20-8-4-10-23(17,18)19/h1-2,5-6,13H,3-4,7-10H2,(H,14,15,16)(H,17,18,19)