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

Systemtic Name: [4-(2-octylsulfanyl-4H-pyrimidin-3-yl)phenyl] 4-octoxybenzoate Openeye Name: [4-(2-octylsulfanyl-4H-pyrimidin-3-yl)phenyl] 4-octoxybenzoate CAS Name: 4-octoxybenzoic acid [4-[2-(octylthio)-4H-pyrimidin-3-yl]phenyl] ester IUPAC Name: [4-(2-octylsulfanyl-4H-pyrimidin-3-yl)phenyl] 4-octoxybenzoate Traditional Name: 4-octoxybenzoic acid [4-[2-(octylthio)-4H-pyrimidin-3-yl]phenyl] ester Formula: C33H46N2O3S MolecularWeight: 550.79494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)N3CC=CN=C3SCCCCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)N3CC=CN=C3SCCCCCCCC

InChI

InChI=1S/C33H46N2O3S/c1-3-5-7-9-11-13-26-37-30-20-16-28(17-21-30)32(36)38-31-22-18-29(19-23-31)35-25-15-24-34-33(35)39-27-14-12-10-8-6-4-2/h15-24H,3-14,25-27H2,1-2H3