4-chloranylbenzoate; 3-chloranyl-1-methyl-pyrrol-1-ium-2,5-dione; chloride

Systemtic Name: 4-chloranylbenzoate; 3-chloranyl-1-methyl-pyrrol-1-ium-2,5-dione; chloride Openeye Name: 4-chlorobenzoate; 3-chloro-1-methyl-pyrrol-1-ium-2,5-dione; chloride CAS Name: 4-chlorobenzoate; 3-chloro-1-methylpyrrol-1-ium-2,5-dione; chloride IUPAC Name: 4-chlorobenzoate; 3-chloro-1-methylpyrrol-1-ium-2,5-dione; chloride Traditional Name: 4-chlorobenzoate; 3-chloro-1-methyl-3-pyrrolin-1-ium-2,5-quinone; chloride Formula: C12H9Cl3NO4- MolecularWeight: 337.56316

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C(=O)C=C(C1=O)Cl.C1=CC(=CC=C1C(=O)[O-])Cl.[Cl-]

Isomeric SMILES

C[NH+]1C(=O)C=C(C1=O)Cl.C1=CC(=CC=C1C(=O)[O-])Cl.[Cl-]

InChI

InChI=1S/C7H5ClO2.C5H4ClNO2.ClH/c8-6-3-1-5(2-4-6)7(9)10;1-7-4(8)2-3(6)5(7)9;/h1-4H,(H,9,10);2H,1H3;1H/p-1