[2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: (2-indan-5-yl-2-oxo-ethyl) 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid (2-indan-5-yl-2-keto-ethyl) ester Formula: C19H17NO5S MolecularWeight: 371.40698

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC3=C(CCC3)C=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC3=C(CCC3)C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H17NO5S/c1-26-18-8-7-15(10-16(18)20(23)24)19(22)25-11-17(21)14-6-5-12-3-2-4-13(12)9-14/h5-10H,2-4,11H2,1H3