6-(nonanoylamino)-2-(4-sulfophenyl)hexanoic acid

Systemtic Name: 6-(nonanoylamino)-2-(4-sulfophenyl)hexanoic acid Openeye Name: 6-(nonanoylamino)-2-(4-sulfophenyl)hexanoic acid CAS Name: 6-(1-oxononylamino)-2-(4-sulfophenyl)hexanoic acid IUPAC Name: 6-(nonanoylamino)-2-(4-sulfophenyl)hexanoic acid Traditional Name: 6-(pelargonylamino)-2-(4-sulfophenyl)hexanoic acid Formula: C21H33NO6S MolecularWeight: 427.55482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)NCCCCC(C1=CC=C(C=C1)S(=O)(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCC(=O)NCCCCC(C1=CC=C(C=C1)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C21H33NO6S/c1-2-3-4-5-6-7-11-20(23)22-16-9-8-10-19(21(24)25)17-12-14-18(15-13-17)29(26,27)28/h12-15,19H,2-11,16H2,1H3,(H,22,23)(H,24,25)(H,26,27,28)