6-nitro-2-propyl-thioxanthen-9-one

Systemtic Name: 6-nitro-2-propyl-thioxanthen-9-one Openeye Name: 6-nitro-2-propyl-thioxanthen-9-one CAS Name: 6-nitro-2-propyl-9-thioxanthenone IUPAC Name: 6-nitro-2-propylthioxanthen-9-one Traditional Name: 6-nitro-2-propyl-thioxanthen-9-one Formula: C16H13NO3S MolecularWeight: 299.34432

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1)SC3=C(C2=O)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC2=C(C=C1)SC3=C(C2=O)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13NO3S/c1-2-3-10-4-7-14-13(8-10)16(18)12-6-5-11(17(19)20)9-15(12)21-14/h4-9H,2-3H2,1H3