methyl 10-[(2R,3R)-3-oct-2-ynyloxiran-2-yl]-10-oxidanyl-deca-5,8-diynoate

Systemtic Name: methyl 10-[(2R,3R)-3-oct-2-ynyloxiran-2-yl]-10-oxidanyl-deca-5,8-diynoate Openeye Name: methyl 10-hydroxy-10-[(2R,3R)-3-oct-2-ynyloxiran-2-yl]deca-5,8-diynoate CAS Name: 10-hydroxy-10-[(2R,3R)-3-oct-2-ynyl-2-oxiranyl]deca-5,8-diynoic acid methyl ester IUPAC Name: methyl 10-hydroxy-10-[(2R,3R)-3-oct-2-ynyloxiran-2-yl]deca-5,8-diynoate Traditional Name: 10-hydroxy-10-[(2R,3R)-3-oct-2-ynyloxiran-2-yl]deca-5,8-diynoic acid methyl ester Formula: C21H28O4 MolecularWeight: 344.44462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CCC1C(O1)C(C#CCC#CCCCC(=O)OC)O

Isomeric SMILES

CCCCCC#CC[C@@H]1[C@H](O1)C(C#CCC#CCCCC(=O)OC)O

InChI

InChI=1S/C21H28O4/c1-3-4-5-6-10-13-16-19-21(25-19)18(22)15-12-9-7-8-11-14-17-20(23)24-2/h18-19,21-22H,3-6,9,11,14,16-17H2,1-2H3/t18?,19-,21-/m1/s1