O1-(2-anthracen-9-ylethyl) O5-(3-oxidanylpropyl) 4-ethyl-2-methyl-pentanedioate

Systemtic Name: O1-(2-anthracen-9-ylethyl) O5-(3-oxidanylpropyl) 4-ethyl-2-methyl-pentanedioate Openeye Name: O1-[2-(9-anthryl)ethyl] O5-(3-hydroxypropyl) 4-ethyl-2-methyl-pentanedioate CAS Name: 4-ethyl-2-methylpentanedioic acid O1-[2-(9-anthracenyl)ethyl] ester O5-(3-hydroxypropyl) ester IUPAC Name: 1-O-(2-anthracen-9-ylethyl) 5-O-(3-hydroxypropyl) 4-ethyl-2-methylpentanedioate Traditional Name: 4-ethyl-2-methyl-glutaric acid O1-[2-(9-anthryl)ethyl] ester O5-(3-hydroxypropyl) ester Formula: C27H32O5 MolecularWeight: 436.53998

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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)OCCCO

Isomeric SMILES

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

InChI

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