quinolin-8-yl 2-(2,4-dinitrophenyl)sulfinylethanoate

Systemtic Name: quinolin-8-yl 2-(2,4-dinitrophenyl)sulfinylethanoate Openeye Name: 8-quinolyl 2-(2,4-dinitrophenyl)sulfinylacetate CAS Name: 2-(2,4-dinitrophenyl)sulfinylacetic acid 8-quinolinyl ester IUPAC Name: quinolin-8-yl 2-(2,4-dinitrophenyl)sulfinylacetate Traditional Name: 2-(2,4-dinitrophenyl)sulfinylacetic acid 8-quinolyl ester Formula: C17H11N3O7S MolecularWeight: 401.35014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)OC(=O)CS(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)OC(=O)CS(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])N=CC=C2

InChI

InChI=1S/C17H11N3O7S/c21-16(27-14-5-1-3-11-4-2-8-18-17(11)14)10-28(26)15-7-6-12(19(22)23)9-13(15)20(24)25/h1-9H,10H2