2-[4-[5-[4,5-bis(chloranyl)-2-methyl-phenyl]-3,4-dihydropyrazol-2-yl]phenyl]sulfonylethanesulfonic acid

Systemtic Name: 2-[4-[5-[4,5-bis(chloranyl)-2-methyl-phenyl]-3,4-dihydropyrazol-2-yl]phenyl]sulfonylethanesulfonic acid Openeye Name: 2-[4-[5-(4,5-dichloro-2-methyl-phenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylethanesulfonic acid CAS Name: 2-[4-[5-(4,5-dichloro-2-methylphenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylethanesulfonic acid IUPAC Name: 2-[4-[5-(4,5-dichloro-2-methylphenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylethanesulfonic acid Traditional Name: 2-[4-[3-(4,5-dichloro-2-methyl-phenyl)-2-pyrazolin-1-yl]phenyl]sulfonylethanesulfonic acid Formula: C18H18Cl2N2O5S2 MolecularWeight: 477.38192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=NN(CC2)C3=CC=C(C=C3)S(=O)(=O)CCS(=O)(=O)O)Cl)Cl

Isomeric SMILES

CC1=CC(=C(C=C1C2=NN(CC2)C3=CC=C(C=C3)S(=O)(=O)CCS(=O)(=O)O)Cl)Cl

InChI

InChI=1S/C18H18Cl2N2O5S2/c1-12-10-16(19)17(20)11-15(12)18-6-7-22(21-18)13-2-4-14(5-3-13)28(23,24)8-9-29(25,26)27/h2-5,10-11H,6-9H2,1H3,(H,25,26,27)