butyl octadecanoate; diphenyl benzene-1,2-dicarboxylate

Systemtic Name: butyl octadecanoate; diphenyl benzene-1,2-dicarboxylate Openeye Name: butyl octadecanoate; diphenyl benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid diphenyl ester; octadecanoic acid butyl ester IUPAC Name: butyl octadecanoate; diphenyl benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid diphenyl ester; stearic acid butyl ester Formula: C42H58O6 MolecularWeight: 658.90632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCCCC.C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2C(=O)OC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCCCC.C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C22H44O2.C20H14O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2;21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h3-21H2,1-2H3;1-14H