3',6'-bis(oxidanyl)-1-oxidanylidene-7-[[6-oxidanyl-1-[1-oxidanyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-6-oxidanylidene-hexan-2-yl]carbamoyl]spiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid

Systemtic Name: 3',6'-bis(oxidanyl)-1-oxidanylidene-7-[[6-oxidanyl-1-[1-oxidanyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-6-oxidanylidene-hexan-2-yl]carbamoyl]spiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid Openeye Name: 3',6'-dihydroxy-7-[[5-hydroxy-1-[(1-hydroxy-2,5-dioxo-pyrrolidin-3-yl)methyl]-5-oxo-pentyl]carbamoyl]-1-oxo-spiro[isobenzofuran-3,9'-xanthene]-5-carboxylic acid CAS Name: 3',6'-dihydroxy-7-[[[6-hydroxy-1-(1-hydroxy-2,5-dioxo-3-pyrrolidinyl)-6-oxohexan-2-yl]amino]-oxomethyl]-1-oxo-5-spiro[isobenzofuran-3,9'-xanthene]carboxylic acid IUPAC Name: 3',6'-dihydroxy-7-[[6-hydroxy-1-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)-6-oxohexan-2-yl]carbamoyl]-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid Traditional Name: 3',6'-dihydroxy-7-[[5-hydroxy-1-[(1-hydroxy-2,5-diketo-pyrrolidin-3-yl)methyl]-5-keto-pentyl]carbamoyl]-1-keto-spiro[phthalan-3,9'-xanthene]-5-carboxylic acid Formula: C32H26N2O13 MolecularWeight: 646.55444

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)O)CC(CCCC(=O)O)NC(=O)C2=C3C(=CC(=C2)C(=O)O)C4(C5=C(C=C(C=C5)O)OC6=C4C=CC(=C6)O)OC3=O

Isomeric SMILES

C1C(C(=O)N(C1=O)O)CC(CCCC(=O)O)NC(=O)C2=C3C(=CC(=C2)C(=O)O)C4(C5=C(C=C(C=C5)O)OC6=C4C=CC(=C6)O)OC3=O

InChI

InChI=1S/C32H26N2O13/c35-17-4-6-20-23(12-17)46-24-13-18(36)5-7-21(24)32(20)22-10-15(30(42)43)9-19(27(22)31(44)47-32)28(40)33-16(2-1-3-26(38)39)8-14-11-25(37)34(45)29(14)41/h4-7,9-10,12-14,16,35-36,45H,1-3,8,11H2,(H,33,40)(H,38,39)(H,42,43)