[3,6,7,10,11-pentakis(2-hexoxypropanoyloxy)triphenylen-2-yl] 2-hexoxypropanoate

Systemtic Name: [3,6,7,10,11-pentakis(2-hexoxypropanoyloxy)triphenylen-2-yl] 2-hexoxypropanoate Openeye Name: [3,6,7,10,11-pentakis(2-hexoxypropanoyloxy)triphenylen-2-yl] 2-hexoxypropanoate CAS Name: 2-hexoxypropanoic acid [3,6,7,10,11-pentakis(2-hexoxy-1-oxopropoxy)-2-triphenylenyl] ester IUPAC Name: [3,6,7,10,11-pentakis(2-hexoxypropanoyloxy)triphenylen-2-yl] 2-hexoxypropanoate Traditional Name: 2-hexoxypropionic acid [3,6,7,10,11-pentakis(2-hexoxypropanoyloxy)triphenylen-2-yl] ester Formula: C72H108O18 MolecularWeight: 1261.61712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(C)C(=O)OC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)OC(=O)C(C)OCCCCCC)OC(=O)C(C)OCCCCCC)OC(=O)C(C)OCCCCCC)OC(=O)C(C)OCCCCCC)OC(=O)C(C)OCCCCCC

Isomeric SMILES

CCCCCCOC(C)C(=O)OC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)OC(=O)C(C)OCCCCCC)OC(=O)C(C)OCCCCCC)OC(=O)C(C)OCCCCCC)OC(=O)C(C)OCCCCCC)OC(=O)C(C)OCCCCCC

InChI

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