sodium 2-[[5-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]-1,2,3,4-tetrazol-2-yl]methyl]benzoate

Systemtic Name: sodium 2-[[5-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]-1,2,3,4-tetrazol-2-yl]methyl]benzoate Openeye Name: sodium 2-[[5-[3-[(E)-2-(2-quinolyl)vinyl]phenyl]tetrazol-2-yl]methyl]benzoate CAS Name: sodium 2-[[5-[3-[(E)-2-(2-quinolinyl)ethenyl]phenyl]-2-tetrazolyl]methyl]benzoate IUPAC Name: sodium 2-[[5-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]tetrazol-2-yl]methyl]benzoate Traditional Name: sodium 2-[[5-[3-[(E)-2-(2-quinolyl)vinyl]phenyl]tetrazol-2-yl]methyl]benzoate Formula: C26H18N5NaO2 MolecularWeight: 455.44319

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C=CC3=CC=CC(=C3)C4=NN(N=N4)CC5=CC=CC=C5C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)/C=C/C3=CC=CC(=C3)C4=NN(N=N4)CC5=CC=CC=C5C(=O)[O-].[Na+]

InChI

InChI=1S/C26H19N5O2.Na/c32-26(33)23-10-3-1-8-21(23)17-31-29-25(28-30-31)20-9-5-6-18(16-20)12-14-22-15-13-19-7-2-4-11-24(19)27-22;/h1-16H,17H2,(H,32,33);/q;+1/p-1/b14-12+;