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

Systemtic Name: O1-(2-anthracen-9-ylethyl) O5-(hydroxymethyl) 4-ethyl-2-methyl-pentanedioate Openeye Name: O1-[2-(9-anthryl)ethyl] O5-(hydroxymethyl) 4-ethyl-2-methyl-pentanedioate CAS Name: 4-ethyl-2-methylpentanedioic acid O1-[2-(9-anthracenyl)ethyl] ester O5-(hydroxymethyl) ester IUPAC Name: 1-O-(2-anthracen-9-ylethyl) 5-O-(hydroxymethyl) 4-ethyl-2-methylpentanedioate Traditional Name: 4-ethyl-2-methyl-glutaric acid O1-[2-(9-anthryl)ethyl] ester O5-methylol ester Formula: C25H28O5 MolecularWeight: 408.48682

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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)OCO

Isomeric SMILES

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

InChI

InChI=1S/C25H28O5/c1-3-18(25(28)30-16-26)14-17(2)24(27)29-13-12-23-21-10-6-4-8-19(21)15-20-9-5-7-11-22(20)23/h4-11,15,17-18,26H,3,12-14,16H2,1-2H3