6-(1,3-benzodioxol-5-yl)-1-methoxy-thioxanthen-9-one

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-1-methoxy-thioxanthen-9-one Openeye Name: 6-(1,3-benzodioxol-5-yl)-1-methoxy-thioxanthen-9-one CAS Name: 6-(1,3-benzodioxol-5-yl)-1-methoxy-9-thioxanthenone IUPAC Name: 6-(1,3-benzodioxol-5-yl)-1-methoxythioxanthen-9-one Traditional Name: 6-(1,3-benzodioxol-5-yl)-1-methoxy-thioxanthen-9-one Formula: C21H14O4S MolecularWeight: 362.39846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC=C1)SC3=C(C2=O)C=CC(=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=C2C(=CC=C1)SC3=C(C2=O)C=CC(=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H14O4S/c1-23-16-3-2-4-18-20(16)21(22)14-7-5-13(10-19(14)26-18)12-6-8-15-17(9-12)25-11-24-15/h2-10H,11H2,1H3