3,4-bis(6-methylheptoxycarbonyl)benzoic acid

Systemtic Name: 3,4-bis(6-methylheptoxycarbonyl)benzoic acid Openeye Name: 3,4-bis(6-methylheptoxycarbonyl)benzoic acid CAS Name: 3,4-bis[6-methylheptoxy(oxo)methyl]benzoic acid IUPAC Name: 3,4-bis(6-methylheptoxycarbonyl)benzoic acid Traditional Name: 3,4-bis(6-methylheptoxycarbonyl)benzoic acid Formula: C25H38O6 MolecularWeight: 434.56562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCOC(=O)C1=C(C=C(C=C1)C(=O)O)C(=O)OCCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCOC(=O)C1=C(C=C(C=C1)C(=O)O)C(=O)OCCCCCC(C)C

InChI

InChI=1S/C25H38O6/c1-18(2)11-7-5-9-15-30-24(28)21-14-13-20(23(26)27)17-22(21)25(29)31-16-10-6-8-12-19(3)4/h13-14,17-19H,5-12,15-16H2,1-4H3,(H,26,27)