2-(2,4,6-trimethylphenyl)-1,3-benzoxathiol-1-ium

Systemtic Name: 2-(2,4,6-trimethylphenyl)-1,3-benzoxathiol-1-ium Openeye Name: 2-(2,4,6-trimethylphenyl)-1,3-benzoxathiol-1-ium CAS Name: 2-(2,4,6-trimethylphenyl)-1,3-benzoxathiol-1-ium IUPAC Name: 2-(2,4,6-trimethylphenyl)-1,3-benzoxathiol-1-ium Traditional Name: 2-mesityl-1,3-benzoxathiol-1-ium Formula: C16H15OS+ MolecularWeight: 255.3547

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=[O+]C3=CC=CC=C3S2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=[O+]C3=CC=CC=C3S2)C

InChI

InChI=1S/C16H15OS/c1-10-8-11(2)15(12(3)9-10)16-17-13-6-4-5-7-14(13)18-16/h4-9H,1-3H3/q+1