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4-methyl-7-[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethoxy]chromen-2-one
4-methyl-7-[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethoxy]chromen-2-one
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Descriptors Computed from Structure
Canonical SMILES:
CC1=CC(=O)OC2=C1C=CC(=C2)OCCSC3=[N+](C4=CC=CC=C4N3)C
Isomeric SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)OCCSC3=[N+](C4=CC=CC=C4N3)C
InChI
InChI=1S/C20H18N2O3S/c1-13-11-19(23)25-18-12-14(7-8-15(13)18)24-9-10-26-20-21-16-5-3-4-6-17(16)22(20)2/h3-8,11-12H,9-10H2,1-2H3/p+1
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