2-[(1R,5R,6S)-3-carboxy-5-(carboxycarbonylamino)-6-oxidanyl-cyclohex-2-en-1-yl]oxypropanedioic acid

Systemtic Name: 2-[(1R,5R,6S)-3-carboxy-5-(carboxycarbonylamino)-6-oxidanyl-cyclohex-2-en-1-yl]oxypropanedioic acid Openeye Name: 2-[(1R,5R,6S)-3-carboxy-6-hydroxy-5-(oxaloamino)cyclohex-2-en-1-yl]oxypropanedioic acid CAS Name: 2-[[(1R,5R,6S)-3-carboxy-6-hydroxy-5-(oxaloamino)-1-cyclohex-2-enyl]oxy]propanedioic acid IUPAC Name: 2-[(1R,5R,6S)-3-carboxy-6-hydroxy-5-(oxaloamino)cyclohex-2-en-1-yl]oxypropanedioic acid Traditional Name: 2-[(1R,5R,6S)-3-carboxy-6-hydroxy-5-(oxaloamino)cyclohex-2-en-1-yl]oxymalonic acid Formula: C12H13NO11 MolecularWeight: 347.23172

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C=C1C(=O)O)OC(C(=O)O)C(=O)O)O)NC(=O)C(=O)O

Isomeric SMILES

C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OC(C(=O)O)C(=O)O)O)NC(=O)C(=O)O

InChI

InChI=1S/C12H13NO11/c14-6-4(13-8(15)12(22)23)1-3(9(16)17)2-5(6)24-7(10(18)19)11(20)21/h2,4-7,14H,1H2,(H,13,15)(H,16,17)(H,18,19)(H,20,21)(H,22,23)/t4-,5-,6+/m1/s1