1,2-bis(7-oxabicyclo[4.1.0]heptan-4-ylmethyl)butane-1,1,4-tricarboxylate

Systemtic Name: 1,2-bis(7-oxabicyclo[4.1.0]heptan-4-ylmethyl)butane-1,1,4-tricarboxylate Openeye Name: 1,2-bis(7-oxabicyclo[4.1.0]heptan-4-ylmethyl)butane-1,1,4-tricarboxylate CAS Name: 1,2-bis(7-oxabicyclo[4.1.0]heptan-4-ylmethyl)butane-1,1,4-tricarboxylate IUPAC Name: 1,2-bis(7-oxabicyclo[4.1.0]heptan-4-ylmethyl)butane-1,1,4-tricarboxylate Traditional Name: 1,2-bis(7-oxabicyclo[4.1.0]heptan-4-ylmethyl)butane-1,1,4-tricarboxylate Formula: C21H27O8-3 MolecularWeight: 407.43428

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(O2)CC1CC(CCC(=O)[O-])C(CC3CCC4C(C3)O4)(C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CC2C(O2)CC1CC(CCC(=O)[O-])C(CC3CCC4C(C3)O4)(C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C21H30O8/c22-18(23)6-3-13(7-11-1-4-14-16(8-11)28-14)21(19(24)25,20(26)27)10-12-2-5-15-17(9-12)29-15/h11-17H,1-10H2,(H,22,23)(H,24,25)(H,26,27)/p-3