sodium (4-acetamidophenyl)methanesulfonate

Systemtic Name: sodium (4-acetamidophenyl)methanesulfonate Openeye Name: sodium (4-acetamidophenyl)methanesulfonate CAS Name: sodium (4-acetamidophenyl)methanesulfonate IUPAC Name: sodium (4-acetamidophenyl)methanesulfonate Traditional Name: sodium (4-acetamidophenyl)methanesulfonate Formula: C9H10NNaO4S MolecularWeight: 251.23477

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C9H11NO4S.Na/c1-7(11)10-9-4-2-8(3-5-9)6-15(12,13)14;/h2-5H,6H2,1H3,(H,10,11)(H,12,13,14);/q;+1/p-1