[3-oxidanyl-2-(4-pyren-1-ylbutanoyloxy)propyl] (Z)-octadec-9-enoate

Systemtic Name: [3-oxidanyl-2-(4-pyren-1-ylbutanoyloxy)propyl] (Z)-octadec-9-enoate Openeye Name: [3-hydroxy-2-(4-pyren-1-ylbutanoyloxy)propyl] (Z)-octadec-9-enoate CAS Name: (Z)-9-octadecenoic acid [3-hydroxy-2-[1-oxo-4-(1-pyrenyl)butoxy]propyl] ester IUPAC Name: [3-hydroxy-2-(4-pyren-1-ylbutanoyloxy)propyl] (Z)-octadec-9-enoate Traditional Name: (Z)-octadec-9-enoic acid [3-hydroxy-2-(4-pyren-1-ylbutanoyloxy)propyl] ester Formula: C41H54O5 MolecularWeight: 626.86446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)OC(=O)CCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

InChI

InChI=1S/C41H54O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-38(43)45-31-36(30-42)46-39(44)23-18-19-32-24-25-35-27-26-33-20-17-21-34-28-29-37(32)41(35)40(33)34/h9-10,17,20-21,24-29,36,42H,2-8,11-16,18-19,22-23,30-31H2,1H3/b10-9-