bis[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] tridecanedioate

Systemtic Name: bis[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] tridecanedioate Openeye Name: bis[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl] tridecanedioate CAS Name: tridecanedioic acid bis[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] ester IUPAC Name: bis[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] tridecanedioate Traditional Name: brassylic acid bis[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl] ester Formula: C33H40O10 MolecularWeight: 596.6647

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)COC(=O)CCCCCCCCCCCC(=O)OCC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)COC(=O)CCCCCCCCCCCC(=O)OCC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C33H40O10/c34-26(24-12-14-28-30(20-24)40-18-16-38-28)22-42-32(36)10-8-6-4-2-1-3-5-7-9-11-33(37)43-23-27(35)25-13-15-29-31(21-25)41-19-17-39-29/h12-15,20-21H,1-11,16-19,22-23H2