2-[8-(cyanomethyl)-10,10-bis(oxidanylidene)phenoxathiin-2-yl]ethanenitrile

Systemtic Name: 2-[8-(cyanomethyl)-10,10-bis(oxidanylidene)phenoxathiin-2-yl]ethanenitrile Openeye Name: 2-[8-(cyanomethyl)-10,10-dioxo-phenoxathiin-2-yl]acetonitrile CAS Name: 2-[8-(cyanomethyl)-10,10-dioxo-2-phenoxathiinyl]acetonitrile IUPAC Name: 2-[8-(cyanomethyl)-10,10-dioxophenoxathiin-2-yl]acetonitrile Traditional Name: 2-[8-(cyanomethyl)-10,10-diketo-phenoxathiin-2-yl]acetonitrile Formula: C16H10N2O3S MolecularWeight: 310.3272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1CC#N)S(=O)(=O)C3=C(O2)C=CC(=C3)CC#N

Isomeric SMILES

C1=CC2=C(C=C1CC#N)S(=O)(=O)C3=C(O2)C=CC(=C3)CC#N

InChI

InChI=1S/C16H10N2O3S/c17-7-5-11-1-3-13-15(9-11)22(19,20)16-10-12(6-8-18)2-4-14(16)21-13/h1-4,9-10H,5-6H2