2-[(3-carboxyphenyl)methyl]-4-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-thiophen-2-yl-pyrazole-3-carboxylic acid

Systemtic Name: 2-[(3-carboxyphenyl)methyl]-4-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-thiophen-2-yl-pyrazole-3-carboxylic acid Openeye Name: 2-[(3-carboxyphenyl)methyl]-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(2-thienyl)pyrazole-3-carboxylic acid CAS Name: 2-[(3-carboxyphenyl)methyl]-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-thiophen-2-yl-3-pyrazolecarboxylic acid IUPAC Name: 2-[(3-carboxyphenyl)methyl]-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-thiophen-2-ylpyrazole-3-carboxylic acid Traditional Name: 2-(3-carboxybenzyl)-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(2-thienyl)pyrazole-3-carboxylic acid Formula: C24H17ClN2O6S MolecularWeight: 496.91958

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CC3=C(N(N=C3C4=CC=CS4)CC5=CC=CC(=C5)C(=O)O)C(=O)O)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CC3=C(N(N=C3C4=CC=CS4)CC5=CC=CC(=C5)C(=O)O)C(=O)O)Cl

InChI

InChI=1S/C24H17ClN2O6S/c25-17-10-19-18(32-12-33-19)9-15(17)8-16-21(20-5-2-6-34-20)26-27(22(16)24(30)31)11-13-3-1-4-14(7-13)23(28)29/h1-7,9-10H,8,11-12H2,(H,28,29)(H,30,31)