3-[3-[bis(chloranyl)-pyridin-4-yl-methyl]-4-methoxy-5-(oxolan-3-yloxy)phenyl]hexadecan-2-one

Systemtic Name: 3-[3-[bis(chloranyl)-pyridin-4-yl-methyl]-4-methoxy-5-(oxolan-3-yloxy)phenyl]hexadecan-2-one Openeye Name: 3-[3-[dichloro(4-pyridyl)methyl]-4-methoxy-5-tetrahydrofuran-3-yloxy-phenyl]hexadecan-2-one CAS Name: 3-[3-[dichloro(pyridin-4-yl)methyl]-4-methoxy-5-(3-oxolanyloxy)phenyl]-2-hexadecanone IUPAC Name: 3-[3-[dichloro(pyridin-4-yl)methyl]-4-methoxy-5-(oxolan-3-yloxy)phenyl]hexadecan-2-one Traditional Name: 3-[3-[dichloro(4-pyridyl)methyl]-4-methoxy-5-tetrahydrofuran-3-yloxy-phenyl]hexadecan-2-one Formula: C33H47Cl2NO4 MolecularWeight: 592.63658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(C1=CC(=C(C(=C1)OC2CCOC2)OC)C(C3=CC=NC=C3)(Cl)Cl)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCC(C1=CC(=C(C(=C1)OC2CCOC2)OC)C(C3=CC=NC=C3)(Cl)Cl)C(=O)C

InChI

InChI=1S/C33H47Cl2NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-29(25(2)37)26-22-30(33(34,35)27-16-19-36-20-17-27)32(38-3)31(23-26)40-28-18-21-39-24-28/h16-17,19-20,22-23,28-29H,4-15,18,21,24H2,1-3H3