2-methyl-6-(2-nitropropyl)thioxanthen-9-one

Systemtic Name: 2-methyl-6-(2-nitropropyl)thioxanthen-9-one Openeye Name: 2-methyl-6-(2-nitropropyl)thioxanthen-9-one CAS Name: 2-methyl-6-(2-nitropropyl)-9-thioxanthenone IUPAC Name: 2-methyl-6-(2-nitropropyl)thioxanthen-9-one Traditional Name: 2-methyl-6-(2-nitropropyl)thioxanthen-9-one Formula: C17H15NO3S MolecularWeight: 313.3709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC3=C(C2=O)C=CC(=C3)CC(C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)SC3=C(C2=O)C=CC(=C3)CC(C)[N+](=O)[O-]

InChI

InChI=1S/C17H15NO3S/c1-10-3-6-15-14(7-10)17(19)13-5-4-12(9-16(13)22-15)8-11(2)18(20)21/h3-7,9,11H,8H2,1-2H3