2-bromanyl-4-thianthren-5-ium-5-yl-phenol perchlorate

Systemtic Name: 2-bromanyl-4-thianthren-5-ium-5-yl-phenol perchlorate Openeye Name: 2-bromo-4-thianthren-5-ium-5-yl-phenol perchlorate CAS Name: 2-bromo-4-(5-thianthren-5-iumyl)phenol perchlorate IUPAC Name: 2-bromo-4-thianthren-5-ium-5-ylphenol perchlorate Traditional Name: 2-bromo-4-thianthren-5-ium-5-yl-phenol perchlorate Formula: C18H12BrClO5S2 MolecularWeight: 487.77188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)SC3=CC=CC=C3[S+]2C4=CC(=C(C=C4)O)Br.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=C2C(=C1)SC3=CC=CC=C3[S+]2C4=CC(=C(C=C4)O)Br.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C18H11BrOS2.ClHO4/c19-13-11-12(9-10-14(13)20)22-17-7-3-1-5-15(17)21-16-6-2-4-8-18(16)22;2-1(3,4)5/h1-11H;(H,2,3,4,5)