3-[4-[1-(oxidanylamino)-1-oxidanylidene-octan-2-yl]sulfonylphenyl]propanoic acid

Systemtic Name: 3-[4-[1-(oxidanylamino)-1-oxidanylidene-octan-2-yl]sulfonylphenyl]propanoic acid Openeye Name: 3-[4-[1-(hydroxycarbamoyl)heptylsulfonyl]phenyl]propanoic acid CAS Name: 3-[4-[1-(hydroxyamino)-1-oxooctan-2-yl]sulfonylphenyl]propanoic acid IUPAC Name: 3-[4-[1-(hydroxyamino)-1-oxooctan-2-yl]sulfonylphenyl]propanoic acid Traditional Name: 3-[4-[1-(hydroxycarbamoyl)heptylsulfonyl]phenyl]propionic acid Formula: C17H25NO6S MolecularWeight: 371.4485

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)NO)S(=O)(=O)C1=CC=C(C=C1)CCC(=O)O

Isomeric SMILES

CCCCCCC(C(=O)NO)S(=O)(=O)C1=CC=C(C=C1)CCC(=O)O

InChI

InChI=1S/C17H25NO6S/c1-2-3-4-5-6-15(17(21)18-22)25(23,24)14-10-7-13(8-11-14)9-12-16(19)20/h7-8,10-11,15,22H,2-6,9,12H2,1H3,(H,18,21)(H,19,20)