3'-azanyl-6'-azanylidene-3-oxidanylidene-spiro[2-benzofuran-1,9'-8aH-xanthene]-4',5'-disulfonic acid

Systemtic Name: 3'-azanyl-6'-azanylidene-3-oxidanylidene-spiro[2-benzofuran-1,9'-8aH-xanthene]-4',5'-disulfonic acid Openeye Name: 3-amino-6-imino-3'-oxo-spiro[8aH-xanthene-9,1'-isobenzofuran]-4,5-disulfonic acid CAS Name: 3-amino-6-imino-3'-oxospiro[8aH-xanthene-9,1'-isobenzofuran]-4,5-disulfonic acid IUPAC Name: 3'-amino-6'-imino-3-oxospiro[2-benzofuran-1,9'-8aH-xanthene]-4',5'-disulfonic acid Traditional Name: 3-amino-6-imino-3'-keto-spiro[8aH-xanthene-9,1'-phthalan]-4,5-disulfonic acid Formula: C20H14N2O9S2 MolecularWeight: 490.46316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)OC23C4C=CC(=N)C(=C4OC5=C3C=CC(=C5S(=O)(=O)O)N)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)OC23C4C=CC(=N)C(=C4OC5=C3C=CC(=C5S(=O)(=O)O)N)S(=O)(=O)O

InChI

InChI=1S/C20H14N2O9S2/c21-13-7-5-11-15(17(13)32(24,25)26)30-16-12(6-8-14(22)18(16)33(27,28)29)20(11)10-4-2-1-3-9(10)19(23)31-20/h1-8,11,21H,22H2,(H,24,25,26)(H,27,28,29)