1-chloranyl-6-methoxy-4-nitro-thioxanthen-9-one

Systemtic Name: 1-chloranyl-6-methoxy-4-nitro-thioxanthen-9-one Openeye Name: 1-chloro-6-methoxy-4-nitro-thioxanthen-9-one CAS Name: 1-chloro-6-methoxy-4-nitro-9-thioxanthenone IUPAC Name: 1-chloro-6-methoxy-4-nitrothioxanthen-9-one Traditional Name: 1-chloro-6-methoxy-4-nitro-thioxanthen-9-one Formula: C14H8ClNO4S MolecularWeight: 321.73562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)C3=C(C=CC(=C3S2)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)C3=C(C=CC(=C3S2)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H8ClNO4S/c1-20-7-2-3-8-11(6-7)21-14-10(16(18)19)5-4-9(15)12(14)13(8)17/h2-6H,1H3