octan-2-yl [3,6,7,10,11-pentakis(octan-2-yloxycarbonyloxy)triphenylen-2-yl] carbonate

Systemtic Name: octan-2-yl [3,6,7,10,11-pentakis(octan-2-yloxycarbonyloxy)triphenylen-2-yl] carbonate Openeye Name: 1-methylheptyl [3,6,7,10,11-pentakis(1-methylheptoxycarbonyloxy)triphenylen-2-yl] carbonate CAS Name: carbonic acid octan-2-yl [3,6,7,10,11-pentakis[octan-2-yloxy(oxo)methoxy]-2-triphenylenyl] ester IUPAC Name: octan-2-yl [3,6,7,10,11-pentakis(octan-2-yloxycarbonyloxy)triphenylen-2-yl] carbonate Traditional Name: carbonic acid 1-methylheptyl [3,6,7,10,11-pentakis(1-methylheptoxycarbonyloxy)triphenylen-2-yl] ester Formula: C72H108O18 MolecularWeight: 1261.61712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)OC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)OC(=O)OC(C)CCCCCC)OC(=O)OC(C)CCCCCC)OC(=O)OC(C)CCCCCC)OC(=O)OC(C)CCCCCC)OC(=O)OC(C)CCCCCC

Isomeric SMILES

CCCCCCC(C)OC(=O)OC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)OC(=O)OC(C)CCCCCC)OC(=O)OC(C)CCCCCC)OC(=O)OC(C)CCCCCC)OC(=O)OC(C)CCCCCC)OC(=O)OC(C)CCCCCC

InChI

InChI=1S/C72H108O18/c1-13-19-25-31-37-49(7)79-67(73)85-61-43-55-56(44-62(61)86-68(74)80-50(8)38-32-26-20-14-2)58-46-64(88-70(76)82-52(10)40-34-28-22-16-4)66(90-72(78)84-54(12)42-36-30-24-18-6)48-60(58)59-47-65(89-71(77)83-53(11)41-35-29-23-17-5)63(45-57(55)59)87-69(75)81-51(9)39-33-27-21-15-3/h43-54H,13-42H2,1-12H3