2-chloranyl-5-[(4Z)-4-[(7-methoxy-2-oxidanylidene-1,3-benzoxathiol-5-yl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 2-chloranyl-5-[(4Z)-4-[(7-methoxy-2-oxidanylidene-1,3-benzoxathiol-5-yl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 2-chloro-5-[(4Z)-4-[(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 2-chloro-5-[(4Z)-4-[(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 2-chloro-5-[(4Z)-4-[(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 2-chloro-5-[(4Z)-5-keto-4-[(2-keto-7-methoxy-1,3-benzoxathiol-5-yl)methylene]-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C20H13ClN2O6S MolecularWeight: 444.84502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C3C(=C2)SC(=O)O3)OC)C4=CC(=C(C=C4)Cl)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC(=C3C(=C2)SC(=O)O3)OC)C4=CC(=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C20H13ClN2O6S/c1-9-12(5-10-6-15(28-2)17-16(7-10)30-20(27)29-17)18(24)23(22-9)11-3-4-14(21)13(8-11)19(25)26/h3-8H,1-2H3,(H,25,26)/b12-5-