2-pentylthioxanthen-9-one

Systemtic Name: 2-pentylthioxanthen-9-one Openeye Name: 2-pentylthioxanthen-9-one CAS Name: 2-pentyl-9-thioxanthenone IUPAC Name: 2-pentylthioxanthen-9-one Traditional Name: 2-amylthioxanthen-9-one Formula: C18H18OS MolecularWeight: 282.39992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC2=C(C=C1)SC3=CC=CC=C3C2=O

Isomeric SMILES

CCCCCC1=CC2=C(C=C1)SC3=CC=CC=C3C2=O

InChI

InChI=1S/C18H18OS/c1-2-3-4-7-13-10-11-17-15(12-13)18(19)14-8-5-6-9-16(14)20-17/h5-6,8-12H,2-4,7H2,1H3