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sodium 2-(4-chlorophenyl)-3-ethanoyl-indolizine-6-carboxylate trihydrate
sodium 2-(4-chlorophenyl)-3-ethanoyl-indolizine-6-carboxylate trihydrate
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Descriptors Computed from Structure
Canonical SMILES:
CC(=O)C1=C(C=C2N1C=C(C=C2)C(=O)[O-])C3=CC=C(C=C3)Cl.O.O.O.[Na+]
Isomeric SMILES
CC(=O)C1=C(C=C2N1C=C(C=C2)C(=O)[O-])C3=CC=C(C=C3)Cl.O.O.O.[Na+]
InChI
InChI=1S/C17H12ClNO3.Na.3H2O/c1-10(20)16-15(11-2-5-13(18)6-3-11)8-14-7-4-12(17(21)22)9-19(14)16;;;;/h2-9H,1H3,(H,21,22);;3*1H2/q;+1;;;/p-1
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