O1-(8-methylnonyl) O8-(phenylmethyl) octanedioate

Systemtic Name: O1-(8-methylnonyl) O8-(phenylmethyl) octanedioate Openeye Name: O8-benzyl O1-(8-methylnonyl) octanedioate CAS Name: octanedioic acid O1-(8-methylnonyl) ester O8-(phenylmethyl) ester IUPAC Name: 8-O-benzyl 1-O-(8-methylnonyl) octanedioate Traditional Name: suberic acid O8-benzyl ester O1-(8-methylnonyl) ester Formula: C25H40O4 MolecularWeight: 404.5827

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCOC(=O)CCCCCCC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)CCCCCCCOC(=O)CCCCCCC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C25H40O4/c1-22(2)15-9-4-3-7-14-20-28-24(26)18-12-5-6-13-19-25(27)29-21-23-16-10-8-11-17-23/h8,10-11,16-17,22H,3-7,9,12-15,18-21H2,1-2H3