3',6'-bis(oxidanyl)-3-oxidanylidene-5-piperazin-1-yl-spiro[2-benzofuran-1,9'-xanthene]-4-carboxylic acid

Systemtic Name: 3',6'-bis(oxidanyl)-3-oxidanylidene-5-piperazin-1-yl-spiro[2-benzofuran-1,9'-xanthene]-4-carboxylic acid Openeye Name: 3',6'-dihydroxy-3-oxo-5-piperazin-1-yl-spiro[isobenzofuran-1,9'-xanthene]-4-carboxylic acid CAS Name: 3',6'-dihydroxy-3-oxo-5-(1-piperazinyl)-4-spiro[isobenzofuran-1,9'-xanthene]carboxylic acid IUPAC Name: 3',6'-dihydroxy-3-oxo-5-piperazin-1-ylspiro[2-benzofuran-1,9'-xanthene]-4-carboxylic acid Traditional Name: 3',6'-dihydroxy-3-keto-5-piperazino-spiro[phthalan-1,9'-xanthene]-4-carboxylic acid Formula: C25H20N2O7 MolecularWeight: 460.4355

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C3=C(C=C2)C4(C5=C(C=C(C=C5)O)OC6=C4C=CC(=C6)O)OC3=O)C(=O)O

Isomeric SMILES

C1CN(CCN1)C2=C(C3=C(C=C2)C4(C5=C(C=C(C=C5)O)OC6=C4C=CC(=C6)O)OC3=O)C(=O)O

InChI

InChI=1S/C25H20N2O7/c28-13-1-3-15-19(11-13)33-20-12-14(29)2-4-16(20)25(15)17-5-6-18(27-9-7-26-8-10-27)22(23(30)31)21(17)24(32)34-25/h1-6,11-12,26,28-29H,7-10H2,(H,30,31)