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

Systemtic Name: O4-[1,3-di(anthracen-9-yl)propan-2-yl] O1-(2-pyren-1-ylethyl) butanedioate Openeye Name: O4-[2-(9-anthryl)-1-(9-anthrylmethyl)ethyl] O1-(2-pyren-1-ylethyl) butanedioate CAS Name: butanedioic acid O4-[1,3-bis(9-anthracenyl)propan-2-yl] ester O1-[2-(1-pyrenyl)ethyl] ester IUPAC Name: 4-O-[1,3-di(anthracen-9-yl)propan-2-yl] 1-O-(2-pyren-1-ylethyl) butanedioate Traditional Name: succinic acid O4-[2-(9-anthryl)-1-(9-anthrylmethyl)ethyl] ester O1-(2-pyren-1-ylethyl) ester Formula: C53H40O4 MolecularWeight: 740.8823

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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=C8C=CC9=CC=CC1=C9C8=C(C=C1)C=C7

Isomeric SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CC(CC4=C5C=CC=CC5=CC6=CC=CC=C64)OC(=O)CCC(=O)OCCC7=C8C=CC9=CC=CC1=C9C8=C(C=C1)C=C7

InChI

InChI=1S/C53H40O4/c54-50(56-29-28-34-20-21-37-23-22-35-14-9-15-36-24-25-47(34)53(37)52(35)36)26-27-51(55)57-42(32-48-43-16-5-1-10-38(43)30-39-11-2-6-17-44(39)48)33-49-45-18-7-3-12-40(45)31-41-13-4-8-19-46(41)49/h1-25,30-31,42H,26-29,32-33H2