cyano-(3-methoxy-4-oxidanyl-phenyl)methanesulfonic acid; N-methylmethanamine

Systemtic Name: cyano-(3-methoxy-4-oxidanyl-phenyl)methanesulfonic acid; N-methylmethanamine Openeye Name: cyano-(4-hydroxy-3-methoxy-phenyl)methanesulfonic acid; N-methylmethanamine CAS Name: cyano-(4-hydroxy-3-methoxyphenyl)methanesulfonic acid; N-methylmethanamine IUPAC Name: cyano-(4-hydroxy-3-methoxyphenyl)methanesulfonic acid; N-methylmethanamine Traditional Name: cyano-(4-hydroxy-3-methoxy-phenyl)methanesulfonic acid; dimethylamine Formula: C11H16N2O5S MolecularWeight: 288.32014

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Descriptors Computed from Structure

Canonical SMILES:

CNC.COC1=C(C=CC(=C1)C(C#N)S(=O)(=O)O)O

Isomeric SMILES

CNC.COC1=C(C=CC(=C1)C(C#N)S(=O)(=O)O)O

InChI

InChI=1S/C9H9NO5S.C2H7N/c1-15-8-4-6(2-3-7(8)11)9(5-10)16(12,13)14;1-3-2/h2-4,9,11H,1H3,(H,12,13,14);3H,1-2H3