O1-(2-anthracen-9-ylethyl) O5-(4-oxidanylbutyl) 4-ethyl-2-methyl-pentanedioate

Systemtic Name: O1-(2-anthracen-9-ylethyl) O5-(4-oxidanylbutyl) 4-ethyl-2-methyl-pentanedioate Openeye Name: O1-[2-(9-anthryl)ethyl] O5-(4-hydroxybutyl) 4-ethyl-2-methyl-pentanedioate CAS Name: 4-ethyl-2-methylpentanedioic acid O1-[2-(9-anthracenyl)ethyl] ester O5-(4-hydroxybutyl) ester IUPAC Name: 1-O-(2-anthracen-9-ylethyl) 5-O-(4-hydroxybutyl) 4-ethyl-2-methylpentanedioate Traditional Name: 4-ethyl-2-methyl-glutaric acid O1-[2-(9-anthryl)ethyl] ester O5-(4-hydroxybutyl) ester Formula: C28H34O5 MolecularWeight: 450.56656

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)C(=O)OCCC1=C2C=CC=CC2=CC3=CC=CC=C31)C(=O)OCCCCO

Isomeric SMILES

CCC(CC(C)C(=O)OCCC1=C2C=CC=CC2=CC3=CC=CC=C31)C(=O)OCCCCO

InChI

InChI=1S/C28H34O5/c1-3-21(28(31)32-16-9-8-15-29)18-20(2)27(30)33-17-14-26-24-12-6-4-10-22(24)19-23-11-5-7-13-25(23)26/h4-7,10-13,19-21,29H,3,8-9,14-18H2,1-2H3