9,10,10-tris(oxidanylidene)-7-propyl-thioxanthene-3-carbonitrile

Systemtic Name: 9,10,10-tris(oxidanylidene)-7-propyl-thioxanthene-3-carbonitrile Openeye Name: 9,10,10-trioxo-7-propyl-thioxanthene-3-carbonitrile CAS Name: 9,10,10-trioxo-7-propyl-3-thioxanthenecarbonitrile IUPAC Name: 9,10,10-trioxo-7-propylthioxanthene-3-carbonitrile Traditional Name: 9,10,10-triketo-7-propyl-thioxanthene-3-carbonitrile Formula: C17H13NO3S MolecularWeight: 311.35502

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1)S(=O)(=O)C3=C(C2=O)C=CC(=C3)C#N

Isomeric SMILES

CCCC1=CC2=C(C=C1)S(=O)(=O)C3=C(C2=O)C=CC(=C3)C#N

InChI

InChI=1S/C17H13NO3S/c1-2-3-11-5-7-15-14(8-11)17(19)13-6-4-12(10-18)9-16(13)22(15,20)21/h4-9H,2-3H2,1H3