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5-methoxy-2-[2-(methylcarbamoyl)phenyl]sulfinyl-benzoic acid hydrate

5-methoxy-2-[2-(methylcarbamoyl)phenyl]sulfinyl-benzoic acid hydrate

Systemtic Name:5-methoxy-2-[2-(methylcarbamoyl)phenyl]sulfinyl-benzoic acid hydrate
Openeye Name:5-methoxy-2-[2-(methylcarbamoyl)phenyl]sulfinyl-benzoic acid hydrate
CAS Name:5-methoxy-2-[2-(methylcarbamoyl)phenyl]sulfinylbenzoic acid hydrate
IUPAC Name:5-methoxy-2-[2-(methylcarbamoyl)phenyl]sulfinylbenzoic acid hydrate
Traditional Name:5-methoxy-2-[2-(methylcarbamoyl)phenyl]sulfinyl-benzoic acid hydrate
Formula: C16H17NO6S
MolecularWeight: 351.37428
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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=CC=C1S(=O)C2=C(C=C(C=C2)OC)C(=O)O.O


Isomeric SMILES

CNC(=O)C1=CC=CC=C1S(=O)C2=C(C=C(C=C2)OC)C(=O)O.O


InChI

InChI=1S/C16H15NO5S.H2O/c1-17-15(18)11-5-3-4-6-13(11)23(21)14-8-7-10(22-2)9-12(14)16(19)20;/h3-9H,1-2H3,(H,17,18)(H,19,20);1H2


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