(2Z,4Z,6Z,8Z)-1-methylthionin-1-ium chloride

Systemtic Name: (2Z,4Z,6Z,8Z)-1-methylthionin-1-ium chloride Openeye Name: (2Z,4Z,6Z,8Z)-1-methylthionin-1-ium chloride CAS Name: (2Z,4Z,6Z,8Z)-1-methylthionin-1-ium chloride IUPAC Name: (2Z,4Z,6Z,8Z)-1-methylthionin-1-ium chloride Traditional Name: (2Z,4Z,6Z,8Z)-1-methylthionin-1-ium chloride Formula: C9H11ClS MolecularWeight: 186.70164

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Descriptors Computed from Structure

Canonical SMILES:

C[S+]1C=CC=CC=CC=C1.[Cl-]

Isomeric SMILES

C[S+]\1/C=C\C=C/C=C\C=C1.[Cl-]

InChI

InChI=1S/C9H11S.ClH/c1-10-8-6-4-2-3-5-7-9-10;/h2-9H,1H3;1H/q+1;/p-1/b4-2-,5-3-,8-6-,9-7-;