2,4-diethyl-10-(4-phenylphenyl)thioxanthen-10-ium-9-one

Systemtic Name: 2,4-diethyl-10-(4-phenylphenyl)thioxanthen-10-ium-9-one Openeye Name: 2,4-diethyl-10-(4-phenylphenyl)thioxanthen-10-ium-9-one CAS Name: 2,4-diethyl-10-(4-phenylphenyl)-9-thioxanthen-10-iumone IUPAC Name: 2,4-diethyl-10-(4-phenylphenyl)thioxanthen-10-ium-9-one Traditional Name: 2,4-diethyl-10-(4-phenylphenyl)thioxanthen-10-ium-9-one Formula: C29H25OS+ MolecularWeight: 421.5732

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C(=C1)C(=O)C3=CC=CC=C3[S+]2C4=CC=C(C=C4)C5=CC=CC=C5)CC

Isomeric SMILES

CCC1=CC(=C2C(=C1)C(=O)C3=CC=CC=C3[S+]2C4=CC=C(C=C4)C5=CC=CC=C5)CC

InChI

InChI=1S/C29H25OS/c1-3-20-18-21(4-2)29-26(19-20)28(30)25-12-8-9-13-27(25)31(29)24-16-14-23(15-17-24)22-10-6-5-7-11-22/h5-19H,3-4H2,1-2H3/q+1