[2-[(Z)-octadec-9-enoyl]oxy-3-(10-pyren-4-yldecanoyloxy)propyl] (Z)-octadec-9-enoate

Systemtic Name: [2-[(Z)-octadec-9-enoyl]oxy-3-(10-pyren-4-yldecanoyloxy)propyl] (Z)-octadec-9-enoate Openeye Name: [2-[(Z)-octadec-9-enoyl]oxy-3-(10-pyren-4-yldecanoyloxy)propyl] (Z)-octadec-9-enoate CAS Name: (Z)-9-octadecenoic acid [2-[(Z)-1-oxooctadec-9-enoxy]-3-[1-oxo-10-(4-pyrenyl)decoxy]propyl] ester IUPAC Name: [2-[(Z)-octadec-9-enoyl]oxy-3-(10-pyren-4-yldecanoyloxy)propyl] (Z)-octadec-9-enoate Traditional Name: (Z)-octadec-9-enoic acid [2-[(Z)-octadec-9-enoyl]oxy-3-(10-pyren-4-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=CC2=CC=CC3=C2C4=C(C=CC=C14)C=C3)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCC1=CC2=CC=CC3=C2C4=C(C=CC=C14)C=C3)OC(=O)CCCCCCC/C=C\CCCCCCCC

InChI

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