oxidanylsulfanylmethylbenzene; 8-thiabicyclo[2.2.2]octa-1,3,5-triene; hydrochloride

Systemtic Name: oxidanylsulfanylmethylbenzene; 8-thiabicyclo[2.2.2]octa-1,3,5-triene; hydrochloride Openeye Name: hydroxysulfanylmethylbenzene; 8-thiabicyclo[2.2.2]octa-1,3,5-triene; hydrochloride CAS Name: phenylmethanesulfenic acid; 8-thiabicyclo[2.2.2]octa-1,3,5-triene; hydrochloride IUPAC Name: hydroxysulfanylmethylbenzene; 8-thiabicyclo[2.2.2]octa-1,3,5-triene; hydrochloride Traditional Name: sulfenomethylbenzene; 8-thiabicyclo[2.2.2]octa-1,3,5-triene; hydrochloride Formula: C14H15ClOS2 MolecularWeight: 298.8513

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=C(S1)C=C2.C1=CC=C(C=C1)CSO.Cl

Isomeric SMILES

C1C2=CC=C(S1)C=C2.C1=CC=C(C=C1)CSO.Cl

InChI

InChI=1S/C7H8OS.C7H6S.ClH/c8-9-6-7-4-2-1-3-5-7;1-3-7-4-2-6(1)5-8-7;/h1-5,8H,6H2;1-4H,5H2;1H