[3-oxidanyl-2-(purin-7-ylmethoxy)propyl] (E)-octadec-9-enoate

Systemtic Name: [3-oxidanyl-2-(purin-7-ylmethoxy)propyl] (E)-octadec-9-enoate Openeye Name: [3-hydroxy-2-(purin-7-ylmethoxy)propyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [3-hydroxy-2-(7-purinylmethoxy)propyl] ester IUPAC Name: [3-hydroxy-2-(purin-7-ylmethoxy)propyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [3-hydroxy-2-(purin-7-ylmethoxy)propyl] ester Formula: C27H44N4O4 MolecularWeight: 488.66266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)OCN1C=NC2=NC=NC=C21

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CO)OCN1C=NC2=NC=NC=C21

InChI

InChI=1S/C27H44N4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(33)34-20-24(19-32)35-23-31-22-30-27-25(31)18-28-21-29-27/h9-10,18,21-22,24,32H,2-8,11-17,19-20,23H2,1H3/b10-9+