[2-[(Z)-octadec-9-enoyl]oxy-3-(10-pyren-1-yldecanoyloxy)propyl] (Z)-octadec-9-enoate

Systemtic Name: [2-[(Z)-octadec-9-enoyl]oxy-3-(10-pyren-1-yldecanoyloxy)propyl] (Z)-octadec-9-enoate Openeye Name: [2-[(Z)-octadec-9-enoyl]oxy-3-(10-pyren-1-yldecanoyloxy)propyl] (Z)-octadec-9-enoate CAS Name: (Z)-9-octadecenoic acid [2-[(Z)-1-oxooctadec-9-enoxy]-3-[1-oxo-10-(1-pyrenyl)decoxy]propyl] ester IUPAC Name: [2-[(Z)-octadec-9-enoyl]oxy-3-(10-pyren-1-yldecanoyloxy)propyl] (Z)-octadec-9-enoate Traditional Name: (Z)-octadec-9-enoic acid [2-[(Z)-octadec-9-enoyl]oxy-3-(10-pyren-1-yldecanoyloxy)propyl] ester Formula: C65H98O6 MolecularWeight: 975.47002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)OC(=O)CCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C65H98O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-33-37-44-61(66)69-53-59(71-63(68)46-39-35-30-26-24-22-20-18-16-14-12-10-8-6-4-2)54-70-62(67)45-38-34-31-27-28-32-36-41-55-47-48-58-50-49-56-42-40-43-57-51-52-60(55)65(58)64(56)57/h17-20,40,42-43,47-52,59H,3-16,21-39,41,44-46,53-54H2,1-2H3/b19-17-,20-18-