3-[(3-azanyl-5-chloranyl-4-oxidanyl-phenyl)sulfonylamino]propane-1-sulfonic acid

Systemtic Name: 3-[(3-azanyl-5-chloranyl-4-oxidanyl-phenyl)sulfonylamino]propane-1-sulfonic acid Openeye Name: 3-[(3-amino-5-chloro-4-hydroxy-phenyl)sulfonylamino]propane-1-sulfonic acid CAS Name: 3-[(3-amino-5-chloro-4-hydroxyphenyl)sulfonylamino]-1-propanesulfonic acid IUPAC Name: 3-[(3-amino-5-chloro-4-hydroxyphenyl)sulfonylamino]propane-1-sulfonic acid Traditional Name: 3-[(3-amino-5-chloro-4-hydroxy-phenyl)sulfonylamino]propane-1-sulfonic acid Formula: C9H13ClN2O6S2 MolecularWeight: 344.79232

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Cl)O)N)S(=O)(=O)NCCCS(=O)(=O)O

Isomeric SMILES

C1=C(C=C(C(=C1Cl)O)N)S(=O)(=O)NCCCS(=O)(=O)O

InChI

InChI=1S/C9H13ClN2O6S2/c10-7-4-6(5-8(11)9(7)13)20(17,18)12-2-1-3-19(14,15)16/h4-5,12-13H,1-3,11H2,(H,14,15,16)