barium(2+); 2-[5-(4-chlorophenyl)carbonyl-1,4-dimethyl-pyrrol-2-yl]ethanoate

Systemtic Name: barium(2+); 2-[5-(4-chlorophenyl)carbonyl-1,4-dimethyl-pyrrol-2-yl]ethanoate Openeye Name: barium(2+); 2-[5-(4-chlorobenzoyl)-1,4-dimethyl-pyrrol-2-yl]acetate CAS Name: barium(2+); 2-[5-[(4-chlorophenyl)-oxomethyl]-1,4-dimethyl-2-pyrrolyl]acetate IUPAC Name: barium(2+); 2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetate Traditional Name: barium(2+); 2-[5-(4-chlorobenzoyl)-1,4-dimethyl-pyrrol-2-yl]acetate Formula: C15H13BaClNO3+ MolecularWeight: 428.04862

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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.[Ba+2]

Isomeric SMILES

CC1=C(N(C(=C1)CC(=O)[O-])C)C(=O)C2=CC=C(C=C2)Cl.[Ba+2]

InChI

InChI=1S/C15H14ClNO3.Ba/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);/q;+2/p-1