methyl 2-[6-cyano-9,10,10-tris(oxidanylidene)thioxanthen-2-yl]oxyethanoate

Systemtic Name: methyl 2-[6-cyano-9,10,10-tris(oxidanylidene)thioxanthen-2-yl]oxyethanoate Openeye Name: methyl 2-(6-cyano-9,10,10-trioxo-thioxanthen-2-yl)oxyacetate CAS Name: 2-[(6-cyano-9,10,10-trioxo-2-thioxanthenyl)oxy]acetic acid methyl ester IUPAC Name: methyl 2-(6-cyano-9,10,10-trioxothioxanthen-2-yl)oxyacetate Traditional Name: 2-(6-cyano-9,10,10-triketo-thioxanthen-2-yl)oxyacetic acid methyl ester Formula: C17H11NO6S MolecularWeight: 357.33734

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=CC2=C(C=C1)S(=O)(=O)C3=C(C2=O)C=CC(=C3)C#N

Isomeric SMILES

COC(=O)COC1=CC2=C(C=C1)S(=O)(=O)C3=C(C2=O)C=CC(=C3)C#N

InChI

InChI=1S/C17H11NO6S/c1-23-16(19)9-24-11-3-5-14-13(7-11)17(20)12-4-2-10(8-18)6-15(12)25(14,21)22/h2-7H,9H2,1H3