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

Systemtic Name: O1-(anthracen-9-ylmethyl) O5-(4-oxidanylbutyl) 4-ethyl-2,2-dimethyl-pentanedioate Openeye Name: O1-(9-anthrylmethyl) O5-(4-hydroxybutyl) 4-ethyl-2,2-dimethyl-pentanedioate CAS Name: 4-ethyl-2,2-dimethylpentanedioic acid O1-(9-anthracenylmethyl) ester O5-(4-hydroxybutyl) ester IUPAC Name: 1-O-(anthracen-9-ylmethyl) 5-O-(4-hydroxybutyl) 4-ethyl-2,2-dimethylpentanedioate Traditional Name: 4-ethyl-2,2-dimethyl-glutaric acid O1-(9-anthrylmethyl) ester O5-(4-hydroxybutyl) ester Formula: C28H34O5 MolecularWeight: 450.56656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34O5/c1-4-20(26(30)32-16-10-9-15-29)18-28(2,3)27(31)33-19-25-23-13-7-5-11-21(23)17-22-12-6-8-14-24(22)25/h5-8,11-14,17,20,29H,4,9-10,15-16,18-19H2,1-3H3