(3S,4S)-3-hexadec-7-ynyl-4-methyl-oxolane-2,5-dione

Systemtic Name: (3S,4S)-3-hexadec-7-ynyl-4-methyl-oxolane-2,5-dione Openeye Name: (3S,4S)-3-hexadec-7-ynyl-4-methyl-tetrahydrofuran-2,5-dione CAS Name: (3S,4S)-3-hexadec-7-ynyl-4-methyloxolane-2,5-dione IUPAC Name: (3S,4S)-3-hexadec-7-ynyl-4-methyloxolane-2,5-dione Traditional Name: (3S,4S)-3-hexadec-7-ynyl-4-methyl-tetrahydrofuran-2,5-quinone Formula: C21H34O3 MolecularWeight: 334.49286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC#CCCCCCCC1C(C(=O)OC1=O)C

Isomeric SMILES

CCCCCCCCC#CCCCCCC[C@H]1[C@@H](C(=O)OC1=O)C

InChI

InChI=1S/C21H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-18(2)20(22)24-21(19)23/h18-19H,3-9,12-17H2,1-2H3/t18-,19-/m0/s1