bis(6-methylheptyl) benzene-1,2-dicarboxylate; hexanedioic acid

Systemtic Name: bis(6-methylheptyl) benzene-1,2-dicarboxylate; hexanedioic acid Openeye Name: adipic acid; bis(6-methylheptyl) benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid bis(6-methylheptyl) ester; hexanedioic acid IUPAC Name: bis(6-methylheptyl) benzene-1,2-dicarboxylate; hexanedioic acid Traditional Name: adipic acid; benzene-1,2-dicarboxylic acid bis(6-methylheptyl) ester Formula: C30H48O8 MolecularWeight: 536.69732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC(C)C.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

CC(C)CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC(C)C.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C24H38O4.C6H10O4/c1-19(2)13-7-5-11-17-27-23(25)21-15-9-10-16-22(21)24(26)28-18-12-6-8-14-20(3)4;7-5(8)3-1-2-4-6(9)10/h9-10,15-16,19-20H,5-8,11-14,17-18H2,1-4H3;1-4H2,(H,7,8)(H,9,10)