10-(4-phenoxyphenyl)-2-propan-2-yl-thioxanthen-10-ium-9-one

Systemtic Name: 10-(4-phenoxyphenyl)-2-propan-2-yl-thioxanthen-10-ium-9-one Openeye Name: 2-isopropyl-10-(4-phenoxyphenyl)thioxanthen-10-ium-9-one CAS Name: 10-(4-phenoxyphenyl)-2-propan-2-yl-9-thioxanthen-10-iumone IUPAC Name: 10-(4-phenoxyphenyl)-2-propan-2-ylthioxanthen-10-ium-9-one Traditional Name: 2-isopropyl-10-(4-phenoxyphenyl)thioxanthen-10-ium-9-one Formula: C28H23O2S+ MolecularWeight: 423.54602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)[S+](C3=CC=CC=C3C2=O)C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)[S+](C3=CC=CC=C3C2=O)C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C28H23O2S/c1-19(2)20-12-17-27-25(18-20)28(29)24-10-6-7-11-26(24)31(27)23-15-13-22(14-16-23)30-21-8-4-3-5-9-21/h3-19H,1-2H3/q+1