1-[6-cyano-9,10,10-tris(oxidanylidene)thioxanthen-2-yl]ethyl ethanoate

Systemtic Name: 1-[6-cyano-9,10,10-tris(oxidanylidene)thioxanthen-2-yl]ethyl ethanoate Openeye Name: 1-(6-cyano-9,10,10-trioxo-thioxanthen-2-yl)ethyl acetate CAS Name: acetic acid 1-(6-cyano-9,10,10-trioxo-2-thioxanthenyl)ethyl ester IUPAC Name: 1-(6-cyano-9,10,10-trioxothioxanthen-2-yl)ethyl acetate Traditional Name: acetic acid 1-(6-cyano-9,10,10-triketo-thioxanthen-2-yl)ethyl ester Formula: C18H13NO5S MolecularWeight: 355.36452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13NO5S/c1-10(24-11(2)20)13-4-6-16-15(8-13)18(21)14-5-3-12(9-19)7-17(14)25(16,22)23/h3-8,10H,1-2H3