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

Systemtic Name: O1-(anthracen-9-ylmethyl) O5-(3-oxidanylpropyl) 4-ethyl-2-methyl-pentanedioate Openeye Name: O1-(9-anthrylmethyl) O5-(3-hydroxypropyl) 4-ethyl-2-methyl-pentanedioate CAS Name: 4-ethyl-2-methylpentanedioic acid O1-(9-anthracenylmethyl) ester O5-(3-hydroxypropyl) ester IUPAC Name: 1-O-(anthracen-9-ylmethyl) 5-O-(3-hydroxypropyl) 4-ethyl-2-methylpentanedioate Traditional Name: 4-ethyl-2-methyl-glutaric acid O1-(9-anthrylmethyl) ester O5-(3-hydroxypropyl) ester Formula: C26H30O5 MolecularWeight: 422.5134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30O5/c1-3-19(26(29)30-14-8-13-27)15-18(2)25(28)31-17-24-22-11-6-4-9-20(22)16-21-10-5-7-12-23(21)24/h4-7,9-12,16,18-19,27H,3,8,13-15,17H2,1-2H3