3-[2-(9-sulfinononanoylamino)phenoxy]propanoic acid

Systemtic Name: 3-[2-(9-sulfinononanoylamino)phenoxy]propanoic acid Openeye Name: 3-[2-(9-sulfinononanoylamino)phenoxy]propanoic acid CAS Name: 3-[2-[(1-oxo-9-sulfinononyl)amino]phenoxy]propanoic acid IUPAC Name: 3-[2-(9-sulfinononanoylamino)phenoxy]propanoic acid Traditional Name: 3-[2-(9-sulfinononanoylamino)phenoxy]propionic acid Formula: C18H27NO6S MolecularWeight: 385.47508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCCCCCCCS(=O)O)OCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCCCCCCCS(=O)O)OCCC(=O)O

InChI

InChI=1S/C18H27NO6S/c20-17(11-5-3-1-2-4-8-14-26(23)24)19-15-9-6-7-10-16(15)25-13-12-18(21)22/h6-7,9-10H,1-5,8,11-14H2,(H,19,20)(H,21,22)(H,23,24)