5-(3-bromanyl-4-methoxy-phenyl)thianthren-5-ium perchlorate

Systemtic Name: 5-(3-bromanyl-4-methoxy-phenyl)thianthren-5-ium perchlorate Openeye Name: 5-(3-bromo-4-methoxy-phenyl)thianthren-5-ium perchlorate CAS Name: 5-(3-bromo-4-methoxyphenyl)thianthren-5-ium perchlorate IUPAC Name: 5-(3-bromo-4-methoxyphenyl)thianthren-5-ium perchlorate Traditional Name: 5-(3-bromo-4-methoxy-phenyl)thianthren-5-ium perchlorate Formula: C19H14BrClO5S2 MolecularWeight: 501.79846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[S+]2C3=CC=CC=C3SC4=CC=CC=C42)Br.[O-]Cl(=O)(=O)=O

Isomeric SMILES

COC1=C(C=C(C=C1)[S+]2C3=CC=CC=C3SC4=CC=CC=C42)Br.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C19H14BrOS2.ClHO4/c1-21-15-11-10-13(12-14(15)20)23-18-8-4-2-6-16(18)22-17-7-3-5-9-19(17)23;2-1(3,4)5/h2-12H,1H3;(H,2,3,4,5)/q+1;/p-1