2-[[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]amino]octanedioic acid

Systemtic Name: 2-[[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]amino]octanedioic acid Openeye Name: 2-[[(E)-4-hydroxy-4-oxo-but-2-enoyl]amino]octanedioic acid CAS Name: 2-[[(E)-4-hydroxy-1,4-dioxobut-2-enyl]amino]octanedioic acid IUPAC Name: 2-[[(E)-4-hydroxy-4-oxobut-2-enoyl]amino]octanedioic acid Traditional Name: 2-[[(E)-4-hydroxy-4-keto-but-2-enoyl]amino]suberic acid Formula: C12H17NO7 MolecularWeight: 287.26588

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Descriptors Computed from Structure

Canonical SMILES:

C(CCC(C(=O)O)NC(=O)C=CC(=O)O)CCC(=O)O

Isomeric SMILES

C(CCC(C(=O)O)NC(=O)/C=C/C(=O)O)CCC(=O)O

InChI

InChI=1S/C12H17NO7/c14-9(6-7-11(17)18)13-8(12(19)20)4-2-1-3-5-10(15)16/h6-8H,1-5H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/b7-6+