ethyl (1S,3aR,7aS)-1-hex-1-ynyl-7a-oxidanyl-2,3,4,5,6,7-hexahydro-1H-indene-3a-carboxylate

Systemtic Name: ethyl (1S,3aR,7aS)-1-hex-1-ynyl-7a-oxidanyl-2,3,4,5,6,7-hexahydro-1H-indene-3a-carboxylate Openeye Name: ethyl (1S,3aR,7aS)-1-hex-1-ynyl-7a-hydroxy-2,3,4,5,6,7-hexahydro-1H-indene-3a-carboxylate CAS Name: (1S,3aR,7aS)-1-hex-1-ynyl-7a-hydroxy-2,3,4,5,6,7-hexahydro-1H-indene-3a-carboxylic acid ethyl ester IUPAC Name: ethyl (1S,3aR,7aS)-1-hex-1-ynyl-7a-hydroxy-2,3,4,5,6,7-hexahydro-1H-indene-3a-carboxylate Traditional Name: (1S,3aR,7aS)-1-hex-1-ynyl-7a-hydroxy-2,3,4,5,6,7-hexahydro-1H-indene-3a-carboxylic acid ethyl ester Formula: C18H28O3 MolecularWeight: 292.41312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1CCC2(C1(CCCC2)O)C(=O)OCC

Isomeric SMILES

CCCCC#C[C@@H]1CC[C@]2([C@@]1(CCCC2)O)C(=O)OCC

InChI

InChI=1S/C18H28O3/c1-3-5-6-7-10-15-11-14-17(16(19)21-4-2)12-8-9-13-18(15,17)20/h15,20H,3-6,8-9,11-14H2,1-2H3/t15-,17+,18+/m1/s1