3-[1-(oxidanylamino)-1-oxidanylidene-octan-2-yl]sulfinylbenzoic acid

Systemtic Name: 3-[1-(oxidanylamino)-1-oxidanylidene-octan-2-yl]sulfinylbenzoic acid Openeye Name: 3-[1-(hydroxycarbamoyl)heptylsulfinyl]benzoic acid CAS Name: 3-[1-(hydroxyamino)-1-oxooctan-2-yl]sulfinylbenzoic acid IUPAC Name: 3-[1-(hydroxyamino)-1-oxooctan-2-yl]sulfinylbenzoic acid Traditional Name: 3-[1-(hydroxycarbamoyl)heptylsulfinyl]benzoic acid Formula: C15H21NO5S MolecularWeight: 327.39594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO5S/c1-2-3-4-5-9-13(14(17)16-20)22(21)12-8-6-7-11(10-12)15(18)19/h6-8,10,13,20H,2-5,9H2,1H3,(H,16,17)(H,18,19)