(9-phenylthioxanthen-9-yl) propanoate

Systemtic Name: (9-phenylthioxanthen-9-yl) propanoate Openeye Name: (9-phenylthioxanthen-9-yl) propanoate CAS Name: propanoic acid (9-phenyl-9-thioxanthenyl) ester IUPAC Name: (9-phenylthioxanthen-9-yl) propanoate Traditional Name: propionic acid (9-phenylthioxanthen-9-yl) ester Formula: C22H18O2S MolecularWeight: 346.44212

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1(C2=CC=CC=C2SC3=CC=CC=C31)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)OC1(C2=CC=CC=C2SC3=CC=CC=C31)C4=CC=CC=C4

InChI

InChI=1S/C22H18O2S/c1-2-21(23)24-22(16-10-4-3-5-11-16)17-12-6-8-14-19(17)25-20-15-9-7-13-18(20)22/h3-15H,2H2,1H3