1-chloranyl-10-(4-phenylphenyl)-4-propoxy-thioxanthen-10-ium-9-one

Systemtic Name: 1-chloranyl-10-(4-phenylphenyl)-4-propoxy-thioxanthen-10-ium-9-one Openeye Name: 1-chloro-10-(4-phenylphenyl)-4-propoxy-thioxanthen-10-ium-9-one CAS Name: 1-chloro-10-(4-phenylphenyl)-4-propoxy-9-thioxanthen-10-iumone IUPAC Name: 1-chloro-10-(4-phenylphenyl)-4-propoxythioxanthen-10-ium-9-one Traditional Name: 1-chloro-10-(4-phenylphenyl)-4-propoxy-thioxanthen-10-ium-9-one Formula: C28H22ClO2S+ MolecularWeight: 457.99108

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C2C(=C(C=C1)Cl)C(=O)C3=CC=CC=C3[S+]2C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CCCOC1=C2C(=C(C=C1)Cl)C(=O)C3=CC=CC=C3[S+]2C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H22ClO2S/c1-2-18-31-24-17-16-23(29)26-27(30)22-10-6-7-11-25(22)32(28(24)26)21-14-12-20(13-15-21)19-8-4-3-5-9-19/h3-17H,2,18H2,1H3/q+1