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

Systemtic Name: 6-(2-methyloctanoylamino)-2-(4-sulfophenyl)hexanoic acid Openeye Name: 6-(2-methyloctanoylamino)-2-(4-sulfophenyl)hexanoic acid CAS Name: 6-[(2-methyl-1-oxooctyl)amino]-2-(4-sulfophenyl)hexanoic acid IUPAC Name: 6-(2-methyloctanoylamino)-2-(4-sulfophenyl)hexanoic acid Traditional Name: 6-(2-methyloctanoylamino)-2-(4-sulfophenyl)hexanoic acid Formula: C21H33NO6S MolecularWeight: 427.55482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33NO6S/c1-3-4-5-6-9-16(2)20(23)22-15-8-7-10-19(21(24)25)17-11-13-18(14-12-17)29(26,27)28/h11-14,16,19H,3-10,15H2,1-2H3,(H,22,23)(H,24,25)(H,26,27,28)