6-nitro-10,10-bis(oxidanylidene)-2-propyl-thioxanthen-9-one

Systemtic Name: 6-nitro-10,10-bis(oxidanylidene)-2-propyl-thioxanthen-9-one Openeye Name: 6-nitro-10,10-dioxo-2-propyl-thioxanthen-9-one CAS Name: 6-nitro-10,10-dioxo-2-propyl-9-thioxanthenone IUPAC Name: 6-nitro-10,10-dioxo-2-propylthioxanthen-9-one Traditional Name: 10,10-diketo-6-nitro-2-propyl-thioxanthen-9-one Formula: C16H13NO5S MolecularWeight: 331.34312

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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)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC2=C(C=C1)S(=O)(=O)C3=C(C2=O)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13NO5S/c1-2-3-10-4-7-14-13(8-10)16(18)12-6-5-11(17(19)20)9-15(12)23(14,21)22/h4-9H,2-3H2,1H3