3-(1,3-benzothiazol-3-ium-2-yl)-7-oxidanyl-chromen-2-one chloride

Systemtic Name: 3-(1,3-benzothiazol-3-ium-2-yl)-7-oxidanyl-chromen-2-one chloride Openeye Name: 3-(1,3-benzothiazol-3-ium-2-yl)-7-hydroxy-chromen-2-one chloride CAS Name: 3-(1,3-benzothiazol-3-ium-2-yl)-7-hydroxy-1-benzopyran-2-one chloride IUPAC Name: 3-(1,3-benzothiazol-3-ium-2-yl)-7-hydroxychromen-2-one chloride Traditional Name: 3-(1,3-benzothiazol-3-ium-2-yl)-7-hydroxy-coumarin chloride Formula: C16H10ClNO3S MolecularWeight: 331.7735

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[NH+]=C(S2)C3=CC4=C(C=C(C=C4)O)OC3=O.[Cl-]

Isomeric SMILES

C1=CC=C2C(=C1)[NH+]=C(S2)C3=CC4=C(C=C(C=C4)O)OC3=O.[Cl-]

InChI

InChI=1S/C16H9NO3S.ClH/c18-10-6-5-9-7-11(16(19)20-13(9)8-10)15-17-12-3-1-2-4-14(12)21-15;/h1-8,18H;1H