[3-oxidanylidene-2-(2,4,6-trimethylphenyl)inden-1-yl] (2S)-2-ethylhexanoate

Systemtic Name: [3-oxidanylidene-2-(2,4,6-trimethylphenyl)inden-1-yl] (2S)-2-ethylhexanoate Openeye Name: [3-oxo-2-(2,4,6-trimethylphenyl)inden-1-yl] (2S)-2-ethylhexanoate CAS Name: (2S)-2-ethylhexanoic acid [3-oxo-2-(2,4,6-trimethylphenyl)-1-indenyl] ester IUPAC Name: [3-oxo-2-(2,4,6-trimethylphenyl)inden-1-yl] (2S)-2-ethylhexanoate Traditional Name: (2S)-2-ethylhexanoic acid (3-keto-2-mesityl-inden-1-yl) ester Formula: C26H30O3 MolecularWeight: 390.5146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)OC1=C(C(=O)C2=CC=CC=C21)C3=C(C=C(C=C3C)C)C

Isomeric SMILES

CCCC[C@H](CC)C(=O)OC1=C(C(=O)C2=CC=CC=C21)C3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C26H30O3/c1-6-8-11-19(7-2)26(28)29-25-21-13-10-9-12-20(21)24(27)23(25)22-17(4)14-16(3)15-18(22)5/h9-10,12-15,19H,6-8,11H2,1-5H3/t19-/m0/s1