[1-(2,3-dihydro-1H-inden-5-yl)-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: [1-(2,3-dihydro-1H-inden-5-yl)-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: (2-indan-5-yl-1-methyl-2-oxo-ethyl) 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid (2-indan-5-yl-2-keto-1-methyl-ethyl) ester Formula: C22H24O5S MolecularWeight: 400.48796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OC(C)C(=O)C2=CC3=C(CCC3)C=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OC(C)C(=O)C2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C22H24O5S/c1-15-6-10-20(11-7-15)28(25,26)13-12-21(23)27-16(2)22(24)19-9-8-17-4-3-5-18(17)14-19/h6-11,14,16H,3-5,12-13H2,1-2H3