1-(2-dimethylaminoethylamino)-4-nitro-7-oxidanyl-thioxanthen-9-one

Systemtic Name: 1-(2-dimethylaminoethylamino)-4-nitro-7-oxidanyl-thioxanthen-9-one Openeye Name: 1-(2-dimethylaminoethylamino)-7-hydroxy-4-nitro-thioxanthen-9-one CAS Name: 1-(2-dimethylaminoethylamino)-7-hydroxy-4-nitro-9-thioxanthenone IUPAC Name: 1-(2-dimethylaminoethylamino)-7-hydroxy-4-nitrothioxanthen-9-one Traditional Name: 1-(2-dimethylaminoethylamino)-7-hydroxy-4-nitro-thioxanthen-9-one Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC1=C2C(=C(C=C1)[N+](=O)[O-])SC3=C(C2=O)C=C(C=C3)O

Isomeric SMILES

CN(C)CCNC1=C2C(=C(C=C1)[N+](=O)[O-])SC3=C(C2=O)C=C(C=C3)O

InChI

InChI=1S/C17H17N3O4S/c1-19(2)8-7-18-12-4-5-13(20(23)24)17-15(12)16(22)11-9-10(21)3-6-14(11)25-17/h3-6,9,18,21H,7-8H2,1-2H3