3-[2-carboxy-5-[3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]sulfanyl-pentyl]benzoic acid

Systemtic Name: 3-[2-carboxy-5-[3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]sulfanyl-pentyl]benzoic acid Openeye Name: 3-[2-carboxy-5-[1-(hydroxycarbamoyl)-2-methyl-propyl]sulfanyl-pentyl]benzoic acid CAS Name: 3-[2-carboxy-5-[[1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]thio]pentyl]benzoic acid IUPAC Name: 3-[2-carboxy-5-[1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]sulfanylpentyl]benzoic acid Traditional Name: 3-[2-carboxy-5-[[1-(hydroxycarbamoyl)-2-methyl-propyl]thio]pentyl]benzoic acid Formula: C18H25NO6S MolecularWeight: 383.4592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NO)SCCCC(CC1=CC=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)C(C(=O)NO)SCCCC(CC1=CC=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C18H25NO6S/c1-11(2)15(16(20)19-25)26-8-4-7-14(18(23)24)10-12-5-3-6-13(9-12)17(21)22/h3,5-6,9,11,14-15,25H,4,7-8,10H2,1-2H3,(H,19,20)(H,21,22)(H,23,24)