2-[8-chloranyl-10,10-bis(oxidanylidene)phenoxathiin-2-yl]propanenitrile

Systemtic Name: 2-[8-chloranyl-10,10-bis(oxidanylidene)phenoxathiin-2-yl]propanenitrile Openeye Name: 2-(8-chloro-10,10-dioxo-phenoxathiin-2-yl)propanenitrile CAS Name: 2-(8-chloro-10,10-dioxo-2-phenoxathiinyl)propanenitrile IUPAC Name: 2-(8-chloro-10,10-dioxophenoxathiin-2-yl)propanenitrile Traditional Name: 2-(8-chloro-10,10-diketo-phenoxathiin-2-yl)propionitrile Formula: C15H10ClNO3S MolecularWeight: 319.7628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)C1=CC2=C(C=C1)OC3=C(S2(=O)=O)C=C(C=C3)Cl

Isomeric SMILES

CC(C#N)C1=CC2=C(C=C1)OC3=C(S2(=O)=O)C=C(C=C3)Cl

InChI

InChI=1S/C15H10ClNO3S/c1-9(8-17)10-2-4-12-14(6-10)21(18,19)15-7-11(16)3-5-13(15)20-12/h2-7,9H,1H3