2,4-bis(chloranyl)-1-phenoxy-thioxanthen-9-one; sulfooxy hydrogen sulfate

Systemtic Name: 2,4-bis(chloranyl)-1-phenoxy-thioxanthen-9-one; sulfooxy hydrogen sulfate Openeye Name: 2,4-dichloro-1-phenoxy-thioxanthen-9-one; sulfooxy hydrogen sulfate CAS Name: 2,4-dichloro-1-phenoxy-9-thioxanthenone; sulfuric acid sulfooxy ester IUPAC Name: 2,4-dichloro-1-phenoxythioxanthen-9-one; sulfooxy hydrogen sulfate Traditional Name: 2,4-dichloro-1-phenoxy-thioxanthen-9-one; sulfuric acid sulfoxy ester Formula: C19H12Cl2O10S3 MolecularWeight: 567.39358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C3C(=C(C=C2Cl)Cl)SC4=CC=CC=C4C3=O.OS(=O)(=O)OOS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=C3C(=C(C=C2Cl)Cl)SC4=CC=CC=C4C3=O.OS(=O)(=O)OOS(=O)(=O)O

InChI

InChI=1S/C19H10Cl2O2S.H2O8S2/c20-13-10-14(21)19-16(18(13)23-11-6-2-1-3-7-11)17(22)12-8-4-5-9-15(12)24-19;1-9(2,3)7-8-10(4,5)6/h1-10H;(H,1,2,3)(H,4,5,6)