6-[2-(3,5-dimethyl-4-sulfino-phenoxy)ethanoylamino]hexanoic acid

Systemtic Name: 6-[2-(3,5-dimethyl-4-sulfino-phenoxy)ethanoylamino]hexanoic acid Openeye Name: 6-[[2-(3,5-dimethyl-4-sulfino-phenoxy)acetyl]amino]hexanoic acid CAS Name: 6-[[2-(3,5-dimethyl-4-sulfinophenoxy)-1-oxoethyl]amino]hexanoic acid IUPAC Name: 6-[[2-(3,5-dimethyl-4-sulfinophenoxy)acetyl]amino]hexanoic acid Traditional Name: 6-[[2-(3,5-dimethyl-4-sulfino-phenoxy)acetyl]amino]hexanoic acid Formula: C16H23NO6S MolecularWeight: 357.42192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)O)C)OCC(=O)NCCCCCC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)O)C)OCC(=O)NCCCCCC(=O)O

InChI

InChI=1S/C16H23NO6S/c1-11-8-13(9-12(2)16(11)24(21)22)23-10-14(18)17-7-5-3-4-6-15(19)20/h8-9H,3-7,10H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)