6-[2-[methyl-(6-methyl-7-sulfo-heptanoyl)amino]phenoxy]hexanoic acid

Systemtic Name: 6-[2-[methyl-(6-methyl-7-sulfo-heptanoyl)amino]phenoxy]hexanoic acid Openeye Name: 6-[2-[methyl-(6-methyl-7-sulfo-heptanoyl)amino]phenoxy]hexanoic acid CAS Name: 6-[2-[methyl-(6-methyl-1-oxo-7-sulfoheptyl)amino]phenoxy]hexanoic acid IUPAC Name: 6-[2-[methyl-(6-methyl-7-sulfoheptanoyl)amino]phenoxy]hexanoic acid Traditional Name: 6-[2-[methyl-(6-methyl-7-sulfo-heptanoyl)amino]phenoxy]hexanoic acid Formula: C21H33NO7S MolecularWeight: 443.55422

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCC(=O)N(C)C1=CC=CC=C1OCCCCCC(=O)O)CS(=O)(=O)O

Isomeric SMILES

CC(CCCCC(=O)N(C)C1=CC=CC=C1OCCCCCC(=O)O)CS(=O)(=O)O

InChI

InChI=1S/C21H33NO7S/c1-17(16-30(26,27)28)10-5-8-13-20(23)22(2)18-11-6-7-12-19(18)29-15-9-3-4-14-21(24)25/h6-7,11-12,17H,3-5,8-10,13-16H2,1-2H3,(H,24,25)(H,26,27,28)