2,3-bis(6-methylheptoxycarbonyl)benzoic acid

Systemtic Name: 2,3-bis(6-methylheptoxycarbonyl)benzoic acid Openeye Name: 2,3-bis(6-methylheptoxycarbonyl)benzoic acid CAS Name: 2,3-bis[6-methylheptoxy(oxo)methyl]benzoic acid IUPAC Name: 2,3-bis(6-methylheptoxycarbonyl)benzoic acid Traditional Name: 2,3-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=CC=CC(=C1C(=O)OCCCCCC(C)C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H38O6/c1-18(2)12-7-5-9-16-30-24(28)21-15-11-14-20(23(26)27)22(21)25(29)31-17-10-6-8-13-19(3)4/h11,14-15,18-19H,5-10,12-13,16-17H2,1-4H3,(H,26,27)