[4-benzamido-2,3,3-tris(3-oxidanyl-4-oxidanylidene-pyran-2-yl)butyl]carbamic acid

Systemtic Name: [4-benzamido-2,3,3-tris(3-oxidanyl-4-oxidanylidene-pyran-2-yl)butyl]carbamic acid Openeye Name: [4-benzamido-2,3,3-tris(3-hydroxy-4-oxo-pyran-2-yl)butyl]carbamic acid CAS Name: [4-benzamido-2,3,3-tris(3-hydroxy-4-oxo-2-pyranyl)butyl]carbamic acid IUPAC Name: [4-benzamido-2,3,3-tris(3-hydroxy-4-oxopyran-2-yl)butyl]carbamic acid Traditional Name: [4-benzamido-2,3,3-tris(3-hydroxy-4-keto-pyran-2-yl)butyl]carbamic acid Formula: C27H22N2O12 MolecularWeight: 566.46978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCC(C2=C(C(=O)C=CO2)O)(C3=C(C(=O)C=CO3)O)C(CNC(=O)O)C4=C(C(=O)C=CO4)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCC(C2=C(C(=O)C=CO2)O)(C3=C(C(=O)C=CO3)O)C(CNC(=O)O)C4=C(C(=O)C=CO4)O

InChI

InChI=1S/C27H22N2O12/c30-16-6-9-39-22(19(16)33)15(12-28-26(37)38)27(23-20(34)17(31)7-10-40-23,24-21(35)18(32)8-11-41-24)13-29-25(36)14-4-2-1-3-5-14/h1-11,15,28,33-35H,12-13H2,(H,29,36)(H,37,38)