2-[bis(3-methyl-7-oxabicyclo[4.1.0]heptan-4-yl)methyl]hexanedioic acid

Systemtic Name: 2-[bis(3-methyl-7-oxabicyclo[4.1.0]heptan-4-yl)methyl]hexanedioic acid Openeye Name: 2-[bis(3-methyl-7-oxabicyclo[4.1.0]heptan-4-yl)methyl]hexanedioic acid CAS Name: 2-[bis(3-methyl-7-oxabicyclo[4.1.0]heptan-4-yl)methyl]hexanedioic acid IUPAC Name: 2-[bis(3-methyl-7-oxabicyclo[4.1.0]heptan-4-yl)methyl]hexanedioic acid Traditional Name: 2-[bis(3-methyl-7-oxabicyclo[4.1.0]heptan-4-yl)methyl]adipic acid Formula: C21H32O6 MolecularWeight: 380.47518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C(O2)CC1C(C3CC4C(O4)CC3C)C(CCCC(=O)O)C(=O)O

Isomeric SMILES

CC1CC2C(O2)CC1C(C3CC4C(O4)CC3C)C(CCCC(=O)O)C(=O)O

InChI

InChI=1S/C21H32O6/c1-10-6-15-17(26-15)8-13(10)20(12(21(24)25)4-3-5-19(22)23)14-9-18-16(27-18)7-11(14)2/h10-18,20H,3-9H2,1-2H3,(H,22,23)(H,24,25)