2-[7-bromanyl-5,5,10,10-tetrakis(oxidanylidene)thianthren-2-yl]propanenitrile

Systemtic Name: 2-[7-bromanyl-5,5,10,10-tetrakis(oxidanylidene)thianthren-2-yl]propanenitrile Openeye Name: 2-(7-bromo-5,5,10,10-tetraoxo-thianthren-2-yl)propanenitrile CAS Name: 2-(7-bromo-5,5,10,10-tetraoxo-2-thianthrenyl)propanenitrile IUPAC Name: 2-(7-bromo-5,5,10,10-tetraoxothianthren-2-yl)propanenitrile Traditional Name: 2-(7-bromo-5,5,10,10-tetraketo-thianthren-2-yl)propionitrile Formula: C15H10BrNO4S2 MolecularWeight: 412.2782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)C1=CC2=C(C=C1)S(=O)(=O)C3=C(S2(=O)=O)C=CC(=C3)Br

Isomeric SMILES

CC(C#N)C1=CC2=C(C=C1)S(=O)(=O)C3=C(S2(=O)=O)C=CC(=C3)Br

InChI

InChI=1S/C15H10BrNO4S2/c1-9(8-17)10-2-4-12-14(6-10)22(18,19)13-5-3-11(16)7-15(13)23(12,20)21/h2-7,9H,1H3