4-[2-(10-sulfodecanoylamino)phenoxy]butanoic acid

Systemtic Name: 4-[2-(10-sulfodecanoylamino)phenoxy]butanoic acid Openeye Name: 4-[2-(10-sulfodecanoylamino)phenoxy]butanoic acid CAS Name: 4-[2-[(1-oxo-10-sulfodecyl)amino]phenoxy]butanoic acid IUPAC Name: 4-[2-(10-sulfodecanoylamino)phenoxy]butanoic acid Traditional Name: 4-[2-(10-sulfodecanoylamino)phenoxy]butyric acid Formula: C20H31NO7S MolecularWeight: 429.52764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCCCCCCCCS(=O)(=O)O)OCCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCCCCCCCCS(=O)(=O)O)OCCCC(=O)O

InChI

InChI=1S/C20H31NO7S/c22-19(13-6-4-2-1-3-5-9-16-29(25,26)27)21-17-11-7-8-12-18(17)28-15-10-14-20(23)24/h7-8,11-12H,1-6,9-10,13-16H2,(H,21,22)(H,23,24)(H,25,26,27)