sodium [4-(1-azanyl-2-oxidanyl-2-oxidanylidene-ethyl)phenyl]methanesulfonate hydrochloride

Systemtic Name: sodium [4-(1-azanyl-2-oxidanyl-2-oxidanylidene-ethyl)phenyl]methanesulfonate hydrochloride Openeye Name: sodium [4-(1-amino-2-hydroxy-2-oxo-ethyl)phenyl]methanesulfonate hydrochloride CAS Name: sodium [4-(1-amino-2-hydroxy-2-oxoethyl)phenyl]methanesulfonate hydrochloride IUPAC Name: sodium [4-(1-amino-2-hydroxy-2-oxoethyl)phenyl]methanesulfonate hydrochloride Traditional Name: sodium [4-(1-amino-2-hydroxy-2-keto-ethyl)phenyl]methanesulfonate hydrochloride Formula: C9H11ClNNaO5S MolecularWeight: 303.69511

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CS(=O)(=O)[O-])C(C(=O)O)N.[Na+].Cl

Isomeric SMILES

C1=CC(=CC=C1CS(=O)(=O)[O-])C(C(=O)O)N.[Na+].Cl

InChI

InChI=1S/C9H11NO5S.ClH.Na/c10-8(9(11)12)7-3-1-6(2-4-7)5-16(13,14)15;;/h1-4,8H,5,10H2,(H,11,12)(H,13,14,15);1H;/q;;+1/p-1