[(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] anthracene-9-carboxylate

Systemtic Name: [(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] anthracene-9-carboxylate Openeye Name: [(1S)-2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] anthracene-9-carboxylate CAS Name: 9-anthracenecarboxylic acid [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] anthracene-9-carboxylate Traditional Name: anthracene-9-carboxylic acid [(1S)-2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C26H22O3 MolecularWeight: 382.45108

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42

InChI

InChI=1S/C26H22O3/c1-3-18-12-14-19(15-13-18)25(27)17(2)29-26(28)24-22-10-6-4-8-20(22)16-21-9-5-7-11-23(21)24/h4-17H,3H2,1-2H3/t17-/m0/s1