2-azanyl-2-octyl-3-sulfonyl-pentanedioic acid

Systemtic Name: 2-azanyl-2-octyl-3-sulfonyl-pentanedioic acid Openeye Name: 2-amino-2-octyl-3-sulfonyl-pentanedioic acid CAS Name: 2-amino-2-octyl-3-sulfonylpentanedioic acid IUPAC Name: 2-amino-2-octyl-3-sulfonylpentanedioic acid Traditional Name: 2-amino-2-octyl-3-sulfonyl-glutaric acid Formula: C13H23NO6S MolecularWeight: 321.38982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=S(=O)=O)CC(=O)O)(C(=O)O)N

Isomeric SMILES

CCCCCCCCC(C(=S(=O)=O)CC(=O)O)(C(=O)O)N

InChI

InChI=1S/C13H23NO6S/c1-2-3-4-5-6-7-8-13(14,12(17)18)10(21(19)20)9-11(15)16/h2-9,14H2,1H3,(H,15,16)(H,17,18)