4-[2-(10-sulfinodecanoylamino)phenyl]sulfanylbutanoic acid

Systemtic Name: 4-[2-(10-sulfinodecanoylamino)phenyl]sulfanylbutanoic acid Openeye Name: 4-[2-(10-sulfinodecanoylamino)phenyl]sulfanylbutanoic acid CAS Name: 4-[[2-[(1-oxo-10-sulfinodecyl)amino]phenyl]thio]butanoic acid IUPAC Name: 4-[2-(10-sulfinodecanoylamino)phenyl]sulfanylbutanoic acid Traditional Name: 4-[[2-(10-sulfinodecanoylamino)phenyl]thio]butyric acid Formula: C20H31NO5S2 MolecularWeight: 429.59384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31NO5S2/c22-19(13-6-4-2-1-3-5-9-16-28(25)26)21-17-11-7-8-12-18(17)27-15-10-14-20(23)24/h7-8,11-12H,1-6,9-10,13-16H2,(H,21,22)(H,23,24)(H,25,26)