ethyl 1-ethynyl-7a-oxidanyl-2,3,4,5,6,7-hexahydro-1H-indene-3a-carboxylate

Systemtic Name: ethyl 1-ethynyl-7a-oxidanyl-2,3,4,5,6,7-hexahydro-1H-indene-3a-carboxylate Openeye Name: ethyl 1-ethynyl-7a-hydroxy-2,3,4,5,6,7-hexahydro-1H-indene-3a-carboxylate CAS Name: 1-ethynyl-7a-hydroxy-2,3,4,5,6,7-hexahydro-1H-indene-3a-carboxylic acid ethyl ester IUPAC Name: ethyl 1-ethynyl-7a-hydroxy-2,3,4,5,6,7-hexahydro-1H-indene-3a-carboxylate Traditional Name: 1-ethynyl-7a-hydroxy-2,3,4,5,6,7-hexahydro-1H-indene-3a-carboxylic acid ethyl ester Formula: C14H20O3 MolecularWeight: 236.3068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C12CCCCC1(C(CC2)C#C)O

Isomeric SMILES

CCOC(=O)C12CCCCC1(C(CC2)C#C)O

InChI

InChI=1S/C14H20O3/c1-3-11-7-10-13(12(15)17-4-2)8-5-6-9-14(11,13)16/h1,11,16H,4-10H2,2H3