3,4-bis(8-methylnonyl)-7-oxabicyclo[4.1.0]hept-5-ene-3,4-dicarboxylic acid

Systemtic Name: 3,4-bis(8-methylnonyl)-7-oxabicyclo[4.1.0]hept-5-ene-3,4-dicarboxylic acid Openeye Name: 3,4-bis(8-methylnonyl)-7-oxabicyclo[4.1.0]hept-5-ene-3,4-dicarboxylic acid CAS Name: 3,4-bis(8-methylnonyl)-7-oxabicyclo[4.1.0]hept-5-ene-3,4-dicarboxylic acid IUPAC Name: 3,4-bis(8-methylnonyl)-7-oxabicyclo[4.1.0]hept-5-ene-3,4-dicarboxylic acid Traditional Name: 3,4-bis(8-methylnonyl)-7-oxabicyclo[4.1.0]hept-5-ene-3,4-dicarboxylic acid Formula: C28H48O5 MolecularWeight: 464.67772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCC1(CC2C(=CC1(CCCCCCCC(C)C)C(=O)O)O2)C(=O)O

Isomeric SMILES

CC(C)CCCCCCCC1(CC2C(=CC1(CCCCCCCC(C)C)C(=O)O)O2)C(=O)O

InChI

InChI=1S/C28H48O5/c1-21(2)15-11-7-5-9-13-17-27(25(29)30)19-23-24(33-23)20-28(27,26(31)32)18-14-10-6-8-12-16-22(3)4/h19,21-22,24H,5-18,20H2,1-4H3,(H,29,30)(H,31,32)