[4-(2-octylsulfanyl-4H-pyrimidin-3-yl)phenyl] 4-heptylbenzoate

Systemtic Name: [4-(2-octylsulfanyl-4H-pyrimidin-3-yl)phenyl] 4-heptylbenzoate Openeye Name: [4-(2-octylsulfanyl-4H-pyrimidin-3-yl)phenyl] 4-heptylbenzoate CAS Name: 4-heptylbenzoic acid [4-[2-(octylthio)-4H-pyrimidin-3-yl]phenyl] ester IUPAC Name: [4-(2-octylsulfanyl-4H-pyrimidin-3-yl)phenyl] 4-heptylbenzoate Traditional Name: 4-heptylbenzoic acid [4-[2-(octylthio)-4H-pyrimidin-3-yl]phenyl] ester Formula: C32H44N2O2S MolecularWeight: 520.76896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC=CCN1C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCCCCC

Isomeric SMILES

CCCCCCCCSC1=NC=CCN1C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCCCCC

InChI

InChI=1S/C32H44N2O2S/c1-3-5-7-9-11-13-26-37-32-33-24-14-25-34(32)29-20-22-30(23-21-29)36-31(35)28-18-16-27(17-19-28)15-12-10-8-6-4-2/h14,16-24H,3-13,15,25-26H2,1-2H3