3-(2-nitropropyl)thioxanthen-9-one

Systemtic Name: 3-(2-nitropropyl)thioxanthen-9-one Openeye Name: 3-(2-nitropropyl)thioxanthen-9-one CAS Name: 3-(2-nitropropyl)-9-thioxanthenone IUPAC Name: 3-(2-nitropropyl)thioxanthen-9-one Traditional Name: 3-(2-nitropropyl)thioxanthen-9-one Formula: C16H13NO3S MolecularWeight: 299.34432

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CC(CC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C16H13NO3S/c1-10(17(19)20)8-11-6-7-13-15(9-11)21-14-5-3-2-4-12(14)16(13)18/h2-7,9-10H,8H2,1H3