[4-(5-octylpyrimidin-2-yl)phenyl]methyl 4-methylbenzenesulfonate

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl]methyl 4-methylbenzenesulfonate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(5-octyl-2-pyrimidinyl)phenyl]methyl ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(5-octylpyrimidin-2-yl)benzyl] ester Formula: C26H32N2O3S MolecularWeight: 452.60888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)COS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)COS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C26H32N2O3S/c1-3-4-5-6-7-8-9-23-18-27-26(28-19-23)24-14-12-22(13-15-24)20-31-32(29,30)25-16-10-21(2)11-17-25/h10-19H,3-9,20H2,1-2H3