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

Systemtic Name: [(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 9H-xanthene-9-carboxylate Openeye Name: [(1S)-2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid [(1S)-2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C25H22O4 MolecularWeight: 386.43978

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24

InChI

InChI=1S/C25H22O4/c1-3-17-12-14-18(15-13-17)24(26)16(2)28-25(27)23-19-8-4-6-10-21(19)29-22-11-7-5-9-20(22)23/h4-16,23H,3H2,1-2H3/t16-/m0/s1