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

Systemtic Name: O1-(anthracen-9-ylmethyl) O5-(4-oxidanylbutyl) 4-ethyl-2-methyl-pentanedioate Openeye Name: O1-(9-anthrylmethyl) O5-(4-hydroxybutyl) 4-ethyl-2-methyl-pentanedioate CAS Name: 4-ethyl-2-methylpentanedioic acid O1-(9-anthracenylmethyl) ester O5-(4-hydroxybutyl) ester IUPAC Name: 1-O-(anthracen-9-ylmethyl) 5-O-(4-hydroxybutyl) 4-ethyl-2-methylpentanedioate Traditional Name: 4-ethyl-2-methyl-glutaric acid O1-(9-anthrylmethyl) ester O5-(4-hydroxybutyl) ester Formula: C27H32O5 MolecularWeight: 436.53998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)C(=O)OCC1=C2C=CC=CC2=CC3=CC=CC=C31)C(=O)OCCCCO

Isomeric SMILES

CCC(CC(C)C(=O)OCC1=C2C=CC=CC2=CC3=CC=CC=C31)C(=O)OCCCCO

InChI

InChI=1S/C27H32O5/c1-3-20(27(30)31-15-9-8-14-28)16-19(2)26(29)32-18-25-23-12-6-4-10-21(23)17-22-11-5-7-13-24(22)25/h4-7,10-13,17,19-20,28H,3,8-9,14-16,18H2,1-2H3