2-(3,4,5-trimethoxyphenyl)-1,3-benzoxathiol-1-ium

Systemtic Name: 2-(3,4,5-trimethoxyphenyl)-1,3-benzoxathiol-1-ium Openeye Name: 2-(3,4,5-trimethoxyphenyl)-1,3-benzoxathiol-1-ium CAS Name: 2-(3,4,5-trimethoxyphenyl)-1,3-benzoxathiol-1-ium IUPAC Name: 2-(3,4,5-trimethoxyphenyl)-1,3-benzoxathiol-1-ium Traditional Name: 2-(3,4,5-trimethoxyphenyl)-1,3-benzoxathiol-1-ium Formula: C16H15O4S+ MolecularWeight: 303.3529

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=[O+]C3=CC=CC=C3S2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=[O+]C3=CC=CC=C3S2

InChI

InChI=1S/C16H15O4S/c1-17-12-8-10(9-13(18-2)15(12)19-3)16-20-11-6-4-5-7-14(11)21-16/h4-9H,1-3H3/q+1