4-[2-(7-sulfinoheptanoylamino)phenoxy]butanoic acid

Systemtic Name: 4-[2-(7-sulfinoheptanoylamino)phenoxy]butanoic acid Openeye Name: 4-[2-(7-sulfinoheptanoylamino)phenoxy]butanoic acid CAS Name: 4-[2-[(1-oxo-7-sulfinoheptyl)amino]phenoxy]butanoic acid IUPAC Name: 4-[2-(7-sulfinoheptanoylamino)phenoxy]butanoic acid Traditional Name: 4-[2-(7-sulfinoheptanoylamino)phenoxy]butyric acid Formula: C17H25NO6S MolecularWeight: 371.4485

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO6S/c19-16(10-3-1-2-6-13-25(22)23)18-14-8-4-5-9-15(14)24-12-7-11-17(20)21/h4-5,8-9H,1-3,6-7,10-13H2,(H,18,19)(H,20,21)(H,22,23)