dioctyl benzene-1,2-dicarboxylate; hexanedioic acid

Systemtic Name: dioctyl benzene-1,2-dicarboxylate; hexanedioic acid Openeye Name: adipic acid; dioctyl benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid dioctyl ester; hexanedioic acid IUPAC Name: dioctyl benzene-1,2-dicarboxylate; hexanedioic acid Traditional Name: adipic acid; benzene-1,2-dicarboxylic acid dioctyl ester Formula: C30H48O8 MolecularWeight: 536.69732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C24H38O4.C6H10O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2;7-5(8)3-1-2-4-6(9)10/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3;1-4H2,(H,7,8)(H,9,10)