O3-[(3,5-didodecoxyphenyl)methyl] O1-(5,12-dihydrotetracen-2-ylmethyl) propanedioate

Systemtic Name: O3-[(3,5-didodecoxyphenyl)methyl] O1-(5,12-dihydrotetracen-2-ylmethyl) propanedioate Openeye Name: O3-[(3,5-didodecoxyphenyl)methyl] O1-(5,12-dihydrotetracen-2-ylmethyl) propanedioate CAS Name: propanedioic acid O3-[(3,5-didodecoxyphenyl)methyl] ester O1-(5,12-dihydrotetracen-2-ylmethyl) ester IUPAC Name: 3-O-[(3,5-didodecoxyphenyl)methyl] 1-O-(5,12-dihydrotetracen-2-ylmethyl) propanedioate Traditional Name: malonic acid O1-(5,12-dihydrotetracen-2-ylmethyl) ester O3-(3,5-dilauryloxybenzyl) ester Formula: C53H72O6 MolecularWeight: 805.13518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=CC(=C1)COC(=O)CC(=O)OCC2=CC3=C(CC4=CC5=CC=CC=C5C=C4C3)C=C2)OCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=CC(=C1)COC(=O)CC(=O)OCC2=CC3=C(CC4=CC5=CC=CC=C5C=C4C3)C=C2)OCCCCCCCCCCCC

InChI

InChI=1S/C53H72O6/c1-3-5-7-9-11-13-15-17-19-23-29-56-50-32-43(33-51(38-50)57-30-24-20-18-16-14-12-10-8-6-4-2)41-59-53(55)39-52(54)58-40-42-27-28-46-36-48-34-44-25-21-22-26-45(44)35-49(48)37-47(46)31-42/h21-22,25-28,31-35,38H,3-20,23-24,29-30,36-37,39-41H2,1-2H3