6-isothiocyanato-4',5'-dimethyl-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one

Systemtic Name: 6-isothiocyanato-4',5'-dimethyl-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one Openeye Name: 3',6'-dihydroxy-6-isothiocyanato-4',5'-dimethyl-spiro[isobenzofuran-3,9'-xanthene]-1-one CAS Name: 3',6'-dihydroxy-6-isothiocyanato-4',5'-dimethyl-1-spiro[isobenzofuran-3,9'-xanthene]one IUPAC Name: 3',6'-dihydroxy-6-isothiocyanato-4',5'-dimethylspiro[2-benzofuran-3,9'-xanthene]-1-one Traditional Name: 3',6'-dihydroxy-6-isothiocyanato-4',5'-dimethyl-spiro[phthalan-3,9'-xanthene]-1-one Formula: C23H15NO5S MolecularWeight: 417.4339

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC3=C(C24C5=C(C=C(C=C5)N=C=S)C(=O)O4)C=CC(=C3C)O)O

Isomeric SMILES

CC1=C(C=CC2=C1OC3=C(C24C5=C(C=C(C=C5)N=C=S)C(=O)O4)C=CC(=C3C)O)O

InChI

InChI=1S/C23H15NO5S/c1-11-18(25)7-5-16-20(11)28-21-12(2)19(26)8-6-17(21)23(16)15-4-3-13(24-10-30)9-14(15)22(27)29-23/h3-9,25-26H,1-2H3