sodium [4-(2-acetamido-3-oxidanyl-3-oxidanylidene-propyl)phenyl]methanesulfonate

Systemtic Name: sodium [4-(2-acetamido-3-oxidanyl-3-oxidanylidene-propyl)phenyl]methanesulfonate Openeye Name: sodium [4-(2-acetamido-3-hydroxy-3-oxo-propyl)phenyl]methanesulfonate CAS Name: sodium [4-(2-acetamido-3-hydroxy-3-oxopropyl)phenyl]methanesulfonate IUPAC Name: sodium [4-(2-acetamido-3-hydroxy-3-oxopropyl)phenyl]methanesulfonate Traditional Name: sodium [4-(2-acetamido-3-hydroxy-3-keto-propyl)phenyl]methanesulfonate Formula: C12H14NNaO6S MolecularWeight: 323.29743

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=C(C=C1)CS(=O)(=O)[O-])C(=O)O.[Na+]

Isomeric SMILES

CC(=O)NC(CC1=CC=C(C=C1)CS(=O)(=O)[O-])C(=O)O.[Na+]

InChI

InChI=1S/C12H15NO6S.Na/c1-8(14)13-11(12(15)16)6-9-2-4-10(5-3-9)7-20(17,18)19;/h2-5,11H,6-7H2,1H3,(H,13,14)(H,15,16)(H,17,18,19);/q;+1/p-1