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

Systemtic Name: O4-[1,3-di(anthracen-9-yl)propan-2-yl] O1-(2-phenanthren-9-ylethyl) butanedioate Openeye Name: O4-[2-(9-anthryl)-1-(9-anthrylmethyl)ethyl] O1-[2-(9-phenanthryl)ethyl] butanedioate CAS Name: butanedioic acid O4-[1,3-bis(9-anthracenyl)propan-2-yl] ester O1-[2-(9-phenanthrenyl)ethyl] ester IUPAC Name: 4-O-[1,3-di(anthracen-9-yl)propan-2-yl] 1-O-(2-phenanthren-9-ylethyl) butanedioate Traditional Name: succinic acid O4-[2-(9-anthryl)-1-(9-anthrylmethyl)ethyl] ester O1-[2-(9-phenanthryl)ethyl] ester Formula: C51H40O4 MolecularWeight: 716.8609

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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)OCCC7=CC8=CC=CC=C8C9=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)OCCC7=CC8=CC=CC=C8C9=CC=CC=C97

InChI

InChI=1S/C51H40O4/c52-50(54-28-27-39-31-34-13-1-6-18-41(34)47-24-12-11-19-42(39)47)25-26-51(53)55-40(32-48-43-20-7-2-14-35(43)29-36-15-3-8-21-44(36)48)33-49-45-22-9-4-16-37(45)30-38-17-5-10-23-46(38)49/h1-24,29-31,40H,25-28,32-33H2