ethyl (1S,2aS,8bS)-1-butyl-3-oxidanylidene-2,8b-dihydro-1H-cyclobuta[c]chromene-2a-carboxylate

Systemtic Name: ethyl (1S,2aS,8bS)-1-butyl-3-oxidanylidene-2,8b-dihydro-1H-cyclobuta[c]chromene-2a-carboxylate Openeye Name: ethyl (1S,2aS,8bS)-1-butyl-3-oxo-2,8b-dihydro-1H-cyclobuta[c]chromene-2a-carboxylate CAS Name: (1S,2aS,8bS)-1-butyl-3-oxo-2,8b-dihydro-1H-cyclobuta[c][1]benzopyran-2a-carboxylic acid ethyl ester IUPAC Name: ethyl (1S,2aS,8bS)-1-butyl-3-oxo-2,8b-dihydro-1H-cyclobuta[c]chromene-2a-carboxylate Traditional Name: (1S,2aS,8bS)-1-butyl-3-keto-2,8b-dihydro-1H-cyclobuta[c]chromene-2a-carboxylic acid ethyl ester Formula: C18H22O4 MolecularWeight: 302.36488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC2(C1C3=CC=CC=C3OC2=O)C(=O)OCC

Isomeric SMILES

CCCC[C@H]1C[C@]2([C@@H]1C3=CC=CC=C3OC2=O)C(=O)OCC

InChI

InChI=1S/C18H22O4/c1-3-5-8-12-11-18(16(19)21-4-2)15(12)13-9-6-7-10-14(13)22-17(18)20/h6-7,9-10,12,15H,3-5,8,11H2,1-2H3/t12-,15-,18-/m0/s1