O1-(anthracen-9-ylmethyl) O4-[1,3-di(anthracen-9-yl)propan-2-yl] butanedioate

Systemtic Name: O1-(anthracen-9-ylmethyl) O4-[1,3-di(anthracen-9-yl)propan-2-yl] butanedioate Openeye Name: O4-[2-(9-anthryl)-1-(9-anthrylmethyl)ethyl] O1-(9-anthrylmethyl) butanedioate CAS Name: butanedioic acid O1-(9-anthracenylmethyl) ester O4-[1,3-bis(9-anthracenyl)propan-2-yl] ester IUPAC Name: 1-O-(anthracen-9-ylmethyl) 4-O-[1,3-di(anthracen-9-yl)propan-2-yl] butanedioate Traditional Name: succinic acid O4-[2-(9-anthryl)-1-(9-anthrylmethyl)ethyl] ester O1-(9-anthrylmethyl) ester Formula: C50H38O4 MolecularWeight: 702.83432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CC(CC4=C5C=CC=CC5=CC6=CC=CC=C64)OC(=O)CCC(=O)OCC7=C8C=CC=CC8=CC9=CC=CC=C97

Isomeric SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CC(CC4=C5C=CC=CC5=CC6=CC=CC=C64)OC(=O)CCC(=O)OCC7=C8C=CC=CC8=CC9=CC=CC=C97

InChI

InChI=1S/C50H38O4/c51-49(53-32-48-44-23-11-5-17-37(44)29-38-18-6-12-24-45(38)48)25-26-50(52)54-39(30-46-40-19-7-1-13-33(40)27-34-14-2-8-20-41(34)46)31-47-42-21-9-3-15-35(42)28-36-16-4-10-22-43(36)47/h1-24,27-29,39H,25-26,30-32H2