sodium 7-isothiocyanato-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one

Systemtic Name: sodium 7-isothiocyanato-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one Openeye Name: sodium 3',6'-dihydroxy-7-isothiocyanato-spiro[isobenzofuran-3,9'-xanthene]-1-one CAS Name: sodium 3',6'-dihydroxy-7-isothiocyanato-1-spiro[isobenzofuran-3,9'-xanthene]one IUPAC Name: sodium 3',6'-dihydroxy-7-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one Traditional Name: sodium 3',6'-dihydroxy-7-isothiocyanato-spiro[phthalan-3,9'-xanthene]-1-one Formula: C21H11NNaO5S+ MolecularWeight: 412.37051

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)N=C=S)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O.[Na+]

Isomeric SMILES

C1=CC2=C(C(=C1)N=C=S)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O.[Na+]

InChI

InChI=1S/C21H11NO5S.Na/c23-11-4-6-13-17(8-11)26-18-9-12(24)5-7-14(18)21(13)15-2-1-3-16(22-10-28)19(15)20(25)27-21;/h1-9,23-24H;/q;+1