8-(4,5,6-triphenylpyridazin-3-yl)sulfanyloctanoic acid

Systemtic Name: 8-(4,5,6-triphenylpyridazin-3-yl)sulfanyloctanoic acid Openeye Name: 8-(4,5,6-triphenylpyridazin-3-yl)sulfanyloctanoic acid CAS Name: 8-[(4,5,6-triphenyl-3-pyridazinyl)thio]octanoic acid IUPAC Name: 8-(4,5,6-triphenylpyridazin-3-yl)sulfanyloctanoic acid Traditional Name: 8-[(4,5,6-triphenylpyridazin-3-yl)thio]caprylic acid Formula: C30H30N2O2S MolecularWeight: 482.6364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NN=C2C3=CC=CC=C3)SCCCCCCCC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NN=C2C3=CC=CC=C3)SCCCCCCCC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C30H30N2O2S/c33-26(34)21-13-2-1-3-14-22-35-30-28(24-17-9-5-10-18-24)27(23-15-7-4-8-16-23)29(31-32-30)25-19-11-6-12-20-25/h4-12,15-20H,1-3,13-14,21-22H2,(H,33,34)