3-(imidazolidin-4-ylmethylsulfonyl)-2,5-bis(oxidanylidene)octanoic acid

Systemtic Name: 3-(imidazolidin-4-ylmethylsulfonyl)-2,5-bis(oxidanylidene)octanoic acid Openeye Name: 3-(imidazolidin-4-ylmethylsulfonyl)-2,5-dioxo-octanoic acid CAS Name: 3-(4-imidazolidinylmethylsulfonyl)-2,5-dioxooctanoic acid IUPAC Name: 3-(imidazolidin-4-ylmethylsulfonyl)-2,5-dioxooctanoic acid Traditional Name: 3-(imidazolidin-4-ylmethylsulfonyl)-2,5-diketo-caprylic acid Formula: C12H20N2O6S MolecularWeight: 320.362

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)CC(C(=O)C(=O)O)S(=O)(=O)CC1CNCN1

Isomeric SMILES

CCCC(=O)CC(C(=O)C(=O)O)S(=O)(=O)CC1CNCN1

InChI

InChI=1S/C12H20N2O6S/c1-2-3-9(15)4-10(11(16)12(17)18)21(19,20)6-8-5-13-7-14-8/h8,10,13-14H,2-7H2,1H3,(H,17,18)