[2-[(Z)-octadec-9-enoyl]oxy-3-(10-oxidanylidene-10-perylen-3-yl-decanoyl)oxy-propyl] (Z)-octadec-9-enoate

Systemtic Name: [2-[(Z)-octadec-9-enoyl]oxy-3-(10-oxidanylidene-10-perylen-3-yl-decanoyl)oxy-propyl] (Z)-octadec-9-enoate Openeye Name: [2-[(Z)-octadec-9-enoyl]oxy-3-(10-oxo-10-perylen-3-yl-decanoyl)oxy-propyl] (Z)-octadec-9-enoate CAS Name: (Z)-9-octadecenoic acid [3-[1,10-dioxo-10-(3-perylenyl)decoxy]-2-[(Z)-1-oxooctadec-9-enoxy]propyl] ester IUPAC Name: [2-[(Z)-octadec-9-enoyl]oxy-3-(10-oxo-10-perylen-3-yldecanoyl)oxypropyl] (Z)-octadec-9-enoate Traditional Name: (Z)-octadec-9-enoic acid [3-(10-keto-10-perylen-3-yl-decanoyl)oxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] ester Formula: C69H98O7 MolecularWeight: 1039.51222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC(=O)C1=CC=C2C3=CC=CC4=C3C(=CC=C4)C5=C2C1=CC=C5)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC(=O)C1=CC=C2C3=CC=CC4=C3C(=CC=C4)C5=C2C1=CC=C5)OC(=O)CCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C69H98O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32-36-49-65(71)74-54-57(76-67(73)51-38-34-28-26-24-22-20-18-16-14-12-10-8-6-4-2)55-75-66(72)50-37-33-30-29-31-35-48-64(70)58-52-53-63-61-45-40-43-56-42-39-44-60(68(56)61)62-47-41-46-59(58)69(62)63/h17-20,39-47,52-53,57H,3-16,21-38,48-51,54-55H2,1-2H3/b19-17-,20-18-