8-(4,5-diphenylpyrimidin-2-yl)sulfanyloctanoic acid

Systemtic Name: 8-(4,5-diphenylpyrimidin-2-yl)sulfanyloctanoic acid Openeye Name: 8-(4,5-diphenylpyrimidin-2-yl)sulfanyloctanoic acid CAS Name: 8-[(4,5-diphenyl-2-pyrimidinyl)thio]octanoic acid IUPAC Name: 8-(4,5-diphenylpyrimidin-2-yl)sulfanyloctanoic acid Traditional Name: 8-[(4,5-diphenylpyrimidin-2-yl)thio]caprylic acid Formula: C24H26N2O2S MolecularWeight: 406.54044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=C(N=C2C3=CC=CC=C3)SCCCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=C(N=C2C3=CC=CC=C3)SCCCCCCCC(=O)O

InChI

InChI=1S/C24H26N2O2S/c27-22(28)16-10-2-1-3-11-17-29-24-25-18-21(19-12-6-4-7-13-19)23(26-24)20-14-8-5-9-15-20/h4-9,12-15,18H,1-3,10-11,16-17H2,(H,27,28)