sodium [3-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)phenyl]methanesulfonate

Systemtic Name: sodium [3-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)phenyl]methanesulfonate Openeye Name: sodium [3-(2-amino-3-hydroxy-3-oxo-propyl)phenyl]methanesulfonate CAS Name: sodium [3-(2-amino-3-hydroxy-3-oxopropyl)phenyl]methanesulfonate IUPAC Name: sodium [3-(2-amino-3-hydroxy-3-oxopropyl)phenyl]methanesulfonate Traditional Name: sodium [3-(2-amino-3-hydroxy-3-keto-propyl)phenyl]methanesulfonate Formula: C10H12NNaO5S MolecularWeight: 281.26075

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13NO5S.Na/c11-9(10(12)13)5-7-2-1-3-8(4-7)6-17(14,15)16;/h1-4,9H,5-6,11H2,(H,12,13)(H,14,15,16);/q;+1/p-1