2-[[2-ethyl-1-oxidanylidene-2-(3-oxidanylidenebutyl)-3H-cyclopenta[a]naphthalen-5-yl]oxy]ethanoate

Systemtic Name: 2-[[2-ethyl-1-oxidanylidene-2-(3-oxidanylidenebutyl)-3H-cyclopenta[a]naphthalen-5-yl]oxy]ethanoate Openeye Name: 2-[[2-ethyl-1-oxo-2-(3-oxobutyl)-3H-cyclopenta[a]naphthalen-5-yl]oxy]acetate CAS Name: 2-[[2-ethyl-1-oxo-2-(3-oxobutyl)-3H-cyclopenta[a]naphthalen-5-yl]oxy]acetate IUPAC Name: 2-[[2-ethyl-1-oxo-2-(3-oxobutyl)-3H-cyclopenta[a]naphthalen-5-yl]oxy]acetate Traditional Name: 2-[[2-ethyl-1-keto-2-(3-ketobutyl)-3H-benz[e]inden-5-yl]oxy]acetate Formula: C21H21O5- MolecularWeight: 353.38844

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2=C(C1=O)C3=CC=CC=C3C(=C2)OCC(=O)[O-])CCC(=O)C

Isomeric SMILES

CCC1(CC2=C(C1=O)C3=CC=CC=C3C(=C2)OCC(=O)[O-])CCC(=O)C

InChI

InChI=1S/C21H22O5/c1-3-21(9-8-13(2)22)11-14-10-17(26-12-18(23)24)15-6-4-5-7-16(15)19(14)20(21)25/h4-7,10H,3,8-9,11-12H2,1-2H3,(H,23,24)/p-1