3-hexadec-4-ynyl-5-oxidanyl-oxolane-2,4-dione

Systemtic Name: 3-hexadec-4-ynyl-5-oxidanyl-oxolane-2,4-dione Openeye Name: 3-hexadec-4-ynyl-5-hydroxy-tetrahydrofuran-2,4-dione CAS Name: 3-hexadec-4-ynyl-5-hydroxyoxolane-2,4-dione IUPAC Name: 3-hexadec-4-ynyl-5-hydroxyoxolane-2,4-dione Traditional Name: 3-hexadec-4-ynyl-5-hydroxy-tetrahydrofuran-2,4-quinone Formula: C20H32O4 MolecularWeight: 336.46568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC#CCCCC1C(=O)C(OC1=O)O

Isomeric SMILES

CCCCCCCCCCCC#CCCCC1C(=O)C(OC1=O)O

InChI

InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(21)20(23)24-19(17)22/h17,20,23H,2-11,14-16H2,1H3