sodium 3-[[2-(3-sulfopropyldisulfanyl)phenyl]amino]propane-1-sulfonate

Systemtic Name: sodium 3-[[2-(3-sulfopropyldisulfanyl)phenyl]amino]propane-1-sulfonate Openeye Name: sodium 3-[2-(3-sulfopropyldisulfanyl)anilino]propane-1-sulfonate CAS Name: sodium 3-[2-(3-sulfopropyldisulfanyl)anilino]-1-propanesulfonate IUPAC Name: sodium 3-[2-(3-sulfopropyldisulfanyl)anilino]propane-1-sulfonate Traditional Name: sodium 3-[2-(3-sulfopropyldisulfanyl)anilino]propane-1-sulfonate Formula: C12H18NNaO6S4 MolecularWeight: 423.52419

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NCCCS(=O)(=O)[O-])SSCCCS(=O)(=O)O.[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)NCCCS(=O)(=O)[O-])SSCCCS(=O)(=O)O.[Na+]

InChI

InChI=1S/C12H19NO6S4.Na/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);/q;+1/p-1