2-[(3,5-dimethoxy-4-oxidanyl-thiophen-2-yl)methyl]chromenylium-3,5,7-triol chloride

Systemtic Name: 2-[(3,5-dimethoxy-4-oxidanyl-thiophen-2-yl)methyl]chromenylium-3,5,7-triol chloride Openeye Name: 2-[(4-hydroxy-3,5-dimethoxy-2-thienyl)methyl]chromenylium-3,5,7-triol chloride CAS Name: 2-[(4-hydroxy-3,5-dimethoxy-2-thiophenyl)methyl]-1-benzopyrylium-3,5,7-triol chloride IUPAC Name: 2-[(4-hydroxy-3,5-dimethoxythiophen-2-yl)methyl]chromenylium-3,5,7-triol chloride Traditional Name: 2-[(4-hydroxy-3,5-dimethoxy-2-thienyl)methyl]-1-benzopyrylium-3,5,7-triol chloride Formula: C16H15ClO7S MolecularWeight: 386.8041

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(SC(=C1O)OC)CC2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O.[Cl-]

Isomeric SMILES

COC1=C(SC(=C1O)OC)CC2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O.[Cl-]

InChI

InChI=1S/C16H14O7S.ClH/c1-21-15-13(24-16(22-2)14(15)20)6-12-10(19)5-8-9(18)3-7(17)4-11(8)23-12;/h3-5H,6H2,1-2H3,(H3-,17,18,19,20);1H