5-[2-[2,5-bis(chloranyl)phenyl]-5-methyl-pyrazol-3-yl]oxysulfonyl-2-methoxy-benzoic acid

Systemtic Name: 5-[2-[2,5-bis(chloranyl)phenyl]-5-methyl-pyrazol-3-yl]oxysulfonyl-2-methoxy-benzoic acid Openeye Name: 5-[2-(2,5-dichlorophenyl)-5-methyl-pyrazol-3-yl]oxysulfonyl-2-methoxy-benzoic acid CAS Name: 5-[[2-(2,5-dichlorophenyl)-5-methyl-3-pyrazolyl]oxysulfonyl]-2-methoxybenzoic acid IUPAC Name: 5-[2-(2,5-dichlorophenyl)-5-methylpyrazol-3-yl]oxysulfonyl-2-methoxybenzoic acid Traditional Name: 5-[2-(2,5-dichlorophenyl)-5-methyl-pyrazol-3-yl]oxysulfonyl-2-methoxy-benzoic acid Formula: C18H14Cl2N2O6S MolecularWeight: 457.28456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)OS(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)O)C3=C(C=CC(=C3)Cl)Cl

Isomeric SMILES

CC1=NN(C(=C1)OS(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)O)C3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C18H14Cl2N2O6S/c1-10-7-17(22(21-10)15-8-11(19)3-5-14(15)20)28-29(25,26)12-4-6-16(27-2)13(9-12)18(23)24/h3-9H,1-2H3,(H,23,24)