7-methoxy-2-methyl-1,3-diphenyl-1H-isothiochromen-2-ium

Systemtic Name: 7-methoxy-2-methyl-1,3-diphenyl-1H-isothiochromen-2-ium Openeye Name: 7-methoxy-2-methyl-1,3-diphenyl-1H-isothiochromen-2-ium CAS Name: 7-methoxy-2-methyl-1,3-diphenyl-1H-2-benzothiopyran-2-ium IUPAC Name: 7-methoxy-2-methyl-1,3-diphenyl-1H-isothiochromen-2-ium Traditional Name: 7-methoxy-2-methyl-1,3-diphenyl-1H-isothiochromen-2-ium Formula: C23H21OS+ MolecularWeight: 345.47724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C([S+](C2C3=CC=CC=C3)C)C4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C=C([S+](C2C3=CC=CC=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C23H21OS/c1-24-20-14-13-19-15-22(17-9-5-3-6-10-17)25(2)23(21(19)16-20)18-11-7-4-8-12-18/h3-16,23H,1-2H3/q+1