3-tert-butyl-5-[2-carboxy-6-(oxidanylamino)-6-oxidanylidene-hexyl]benzoic acid

Systemtic Name: 3-tert-butyl-5-[2-carboxy-6-(oxidanylamino)-6-oxidanylidene-hexyl]benzoic acid Openeye Name: 3-tert-butyl-5-[2-carboxy-6-(hydroxyamino)-6-oxo-hexyl]benzoic acid CAS Name: 3-tert-butyl-5-[2-carboxy-6-(hydroxyamino)-6-oxohexyl]benzoic acid IUPAC Name: 3-tert-butyl-5-[2-carboxy-6-(hydroxyamino)-6-oxohexyl]benzoic acid Traditional Name: 3-tert-butyl-5-[2-carboxy-6-(hydroxyamino)-6-keto-hexyl]benzoic acid Formula: C18H25NO6 MolecularWeight: 351.3942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)CC(CCCC(=O)NO)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)CC(CCCC(=O)NO)C(=O)O)C(=O)O

InChI

InChI=1S/C18H25NO6/c1-18(2,3)14-9-11(8-13(10-14)17(23)24)7-12(16(21)22)5-4-6-15(20)19-25/h8-10,12,25H,4-7H2,1-3H3,(H,19,20)(H,21,22)(H,23,24)