4-bromanylbenzenesulfonic acid; 2,6-dimethyl-4-(phenylmethylsulfanyl)pyrylium

Systemtic Name: 4-bromanylbenzenesulfonic acid; 2,6-dimethyl-4-(phenylmethylsulfanyl)pyrylium Openeye Name: 4-benzylsulfanyl-2,6-dimethyl-pyrylium; 4-bromobenzenesulfonic acid CAS Name: 4-bromobenzenesulfonic acid; 2,6-dimethyl-4-(phenylmethylthio)pyrylium IUPAC Name: 4-benzylsulfanyl-2,6-dimethylpyrylium; 4-bromobenzenesulfonic acid Traditional Name: 4-(benzylthio)-2,6-dimethyl-pyrylium; brosylic acid Formula: C20H20BrO4S2+ MolecularWeight: 468.4044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[O+]1)C)SCC2=CC=CC=C2.C1=CC(=CC=C1S(=O)(=O)O)Br

Isomeric SMILES

CC1=CC(=CC(=[O+]1)C)SCC2=CC=CC=C2.C1=CC(=CC=C1S(=O)(=O)O)Br

InChI

InChI=1S/C14H15OS.C6H5BrO3S/c1-11-8-14(9-12(2)15-11)16-10-13-6-4-3-5-7-13;7-5-1-3-6(4-2-5)11(8,9)10/h3-9H,10H2,1-2H3;1-4H,(H,8,9,10)/q+1;