furan-2,5-dione; 3-(3-oxidanylpropoxy)propyl benzoate

Systemtic Name: furan-2,5-dione; 3-(3-oxidanylpropoxy)propyl benzoate Openeye Name: furan-2,5-dione; 3-(3-hydroxypropoxy)propyl benzoate CAS Name: benzoic acid 3-(3-hydroxypropoxy)propyl ester; furan-2,5-dione IUPAC Name: furan-2,5-dione; 3-(3-hydroxypropoxy)propyl benzoate Traditional Name: benzoic acid 3-(3-hydroxypropoxy)propyl ester; furan-2,5-quinone Formula: C17H20O7 MolecularWeight: 336.3365

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCCOCCCO.C1=CC(=O)OC1=O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCCOCCCO.C1=CC(=O)OC1=O

InChI

InChI=1S/C13H18O4.C4H2O3/c14-8-4-9-16-10-5-11-17-13(15)12-6-2-1-3-7-12;5-3-1-2-4(6)7-3/h1-3,6-7,14H,4-5,8-11H2;1-2H