4-azanyl-2-chloranyl-benzenesulfonic acid; (sulfinoamino)ethane

Systemtic Name: 4-azanyl-2-chloranyl-benzenesulfonic acid; (sulfinoamino)ethane Openeye Name: 4-amino-2-chloro-benzenesulfonic acid; (sulfinoamino)ethane CAS Name: 4-amino-2-chlorobenzenesulfonic acid; (sulfinoamino)ethane IUPAC Name: 4-amino-2-chlorobenzenesulfonic acid; (sulfinoamino)ethane Traditional Name: 4-amino-2-chloro-besylic acid; (sulfinoamino)ethane Formula: C8H13ClN2O5S2 MolecularWeight: 316.78222

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Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)O.C1=CC(=C(C=C1N)Cl)S(=O)(=O)O

Isomeric SMILES

CCNS(=O)O.C1=CC(=C(C=C1N)Cl)S(=O)(=O)O

InChI

InChI=1S/C6H6ClNO3S.C2H7NO2S/c7-5-3-4(8)1-2-6(5)12(9,10)11;1-2-3-6(4)5/h1-3H,8H2,(H,9,10,11);3H,2H2,1H3,(H,4,5)