sodium (E)-8-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]oct-5-enoate

Systemtic Name: sodium (E)-8-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]oct-5-enoate Openeye Name: sodium (E)-8-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]oct-5-enoate CAS Name: sodium (E)-8-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-pyrazolyl]-5-octenoate IUPAC Name: sodium (E)-8-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]oct-5-enoate Traditional Name: sodium (E)-8-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]oct-5-enoate Formula: C24H24ClN2NaO3 MolecularWeight: 446.90173

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=CC(=N2)CCC=CCCCC(=O)[O-])C3=CC=C(C=C3)Cl.[Na+]

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=CC(=N2)CC/C=C/CCCC(=O)[O-])C3=CC=C(C=C3)Cl.[Na+]

InChI

InChI=1S/C24H25ClN2O3.Na/c1-30-22-15-13-21(14-16-22)27-23(18-9-11-19(25)12-10-18)17-20(26-27)7-5-3-2-4-6-8-24(28)29;/h2-3,9-17H,4-8H2,1H3,(H,28,29);/q;+1/p-1/b3-2+;