3-[2-[[3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-yl]amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-[[3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-yl]amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-[(3',6'-dihydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-5-yl)amino]-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-[(3',6'-dihydroxy-3-oxo-5-spiro[isobenzofuran-1,9'-xanthene]yl)amino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)amino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-[(3',6'-dihydroxy-3-keto-spiro[phthalan-1,9'-xanthene]-5-yl)amino]-2-keto-ethyl]thio]propionic acid Formula: C25H19NO8S MolecularWeight: 493.48526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NC(=O)CSCCC(=O)O)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O

Isomeric SMILES

C1=CC2=C(C=C1NC(=O)CSCCC(=O)O)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O

InChI

InChI=1S/C25H19NO8S/c27-14-2-5-18-20(10-14)33-21-11-15(28)3-6-19(21)25(18)17-4-1-13(9-16(17)24(32)34-25)26-22(29)12-35-8-7-23(30)31/h1-6,9-11,27-28H,7-8,12H2,(H,26,29)(H,30,31)