(6'-oxidanyl-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl) 4-[bis(azanyl)methylideneamino]benzoate hydrochloride

Systemtic Name: (6'-oxidanyl-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl) 4-[bis(azanyl)methylideneamino]benzoate hydrochloride Openeye Name: (6'-hydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-3'-yl) 4-guanidinobenzoate hydrochloride CAS Name: 4-(diaminomethylideneamino)benzoic acid (6'-hydroxy-3-oxo-3'-spiro[isobenzofuran-1,9'-xanthene]yl) ester hydrochloride IUPAC Name: (6'-hydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) 4-(diaminomethylideneamino)benzoate hydrochloride Traditional Name: 4-guanidinobenzoic acid (6'-hydroxy-3-keto-spiro[phthalan-1,9'-xanthene]-3'-yl) ester hydrochloride Formula: C28H20ClN3O6 MolecularWeight: 529.9279

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)OC(=O)C6=CC=C(C=C6)N=C(N)N.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)OC(=O)C6=CC=C(C=C6)N=C(N)N.Cl

InChI

InChI=1S/C28H19N3O6.ClH/c29-27(30)31-16-7-5-15(6-8-16)25(33)35-18-10-12-22-24(14-18)36-23-13-17(32)9-11-21(23)28(22)20-4-2-1-3-19(20)26(34)37-28;/h1-14,32H,(H4,29,30,31);1H