5-methoxy-2-[2-(methylcarbamoyl)phenyl]sulfinyl-benzoic acid hydrate
Molecular Formula:
C
16
H
17
NO
6
S
InChI:
InChI=1/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/f/h17,19H;
InChIKey:
InChIKey=FDCDRQZTDOKLHY-NDLZCJNXCH
SMILES:
CNC(=O)C1=CC=CC=C1S(=O)C2=C(C=C(C=C2)OC)C(=O)O.O
Names:
5-methoxy-2-[2-(methylcarbamoyl)phenyl]sulfinyl-benzoic acid hydrate
Registries:
PubChem CID 2801954
PubChem ID 3258658
