2-(4-methoxyphenyl)-4-methylsulfanyl-5,6,7,8-tetrahydrochromen-1-ium tetrafluoroborate

Systemtic Name: 2-(4-methoxyphenyl)-4-methylsulfanyl-5,6,7,8-tetrahydrochromen-1-ium tetrafluoroborate Openeye Name: 2-(4-methoxyphenyl)-4-methylsulfanyl-5,6,7,8-tetrahydrochromen-1-ium tetrafluoroborate CAS Name: 2-(4-methoxyphenyl)-4-(methylthio)-5,6,7,8-tetrahydro-1-benzopyran-1-ium tetrafluoroborate IUPAC Name: 2-(4-methoxyphenyl)-4-methylsulfanyl-5,6,7,8-tetrahydrochromen-1-ium tetrafluoroborate Traditional Name: 2-(4-methoxyphenyl)-4-(methylthio)-5,6,7,8-tetrahydrochromen-1-ium tetrafluoroborate Formula: C17H19BF4O2S MolecularWeight: 374.201173

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.COC1=CC=C(C=C1)C2=[O+]C3=C(CCCC3)C(=C2)SC

Isomeric SMILES

[B-](F)(F)(F)F.COC1=CC=C(C=C1)C2=[O+]C3=C(CCCC3)C(=C2)SC

InChI

InChI=1S/C17H19O2S.BF4/c1-18-13-9-7-12(8-10-13)16-11-17(20-2)14-5-3-4-6-15(14)19-16;2-1(3,4)5/h7-11H,3-6H2,1-2H3;/q+1;-1