sodium 2-[5-(4-chlorophenyl)carbonyl-1,4-dimethyl-pyrrol-2-yl]ethanoate dihydrate

Systemtic Name: sodium 2-[5-(4-chlorophenyl)carbonyl-1,4-dimethyl-pyrrol-2-yl]ethanoate dihydrate Openeye Name: sodium 2-[5-(4-chlorobenzoyl)-1,4-dimethyl-pyrrol-2-yl]acetate dihydrate CAS Name: sodium 2-[5-[(4-chlorophenyl)-oxomethyl]-1,4-dimethyl-2-pyrrolyl]acetate dihydrate IUPAC Name: sodium 2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetate dihydrate Traditional Name: sodium 2-[5-(4-chlorobenzoyl)-1,4-dimethyl-pyrrol-2-yl]acetate dihydrate Formula: C15H17ClNNaO5 MolecularWeight: 349.74195

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1)CC(=O)[O-])C)C(=O)C2=CC=C(C=C2)Cl.O.O.[Na+]

Isomeric SMILES

CC1=C(N(C(=C1)CC(=O)[O-])C)C(=O)C2=CC=C(C=C2)Cl.O.O.[Na+]

InChI

InChI=1S/C15H14ClNO3.Na.2H2O/c1-9-7-12(8-13(18)19)17(2)14(9)15(20)10-3-5-11(16)6-4-10;;;/h3-7H,8H2,1-2H3,(H,18,19);;2*1H2/q;+1;;/p-1