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

Systemtic Name: O1-(2-anthracen-9-ylethyl) O4-[1,3-di(anthracen-9-yl)propan-2-yl] butanedioate Openeye Name: O4-[2-(9-anthryl)-1-(9-anthrylmethyl)ethyl] O1-[2-(9-anthryl)ethyl] butanedioate CAS Name: butanedioic acid O1-[2-(9-anthracenyl)ethyl] ester O4-[1,3-bis(9-anthracenyl)propan-2-yl] ester IUPAC Name: 1-O-(2-anthracen-9-ylethyl) 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-[2-(9-anthryl)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=C2CCOC(=O)CCC(=O)OC(CC4=C5C=CC=CC5=CC6=CC=CC=C64)CC7=C8C=CC=CC8=CC9=CC=CC=C97

Isomeric SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CCOC(=O)CCC(=O)OC(CC4=C5C=CC=CC5=CC6=CC=CC=C64)CC7=C8C=CC=CC8=CC9=CC=CC=C97

InChI

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