(2-nonylphenyl) 2-sulfooxypropanoate

Systemtic Name: (2-nonylphenyl) 2-sulfooxypropanoate Openeye Name: (2-nonylphenyl) 2-sulfooxypropanoate CAS Name: 2-sulfooxypropanoic acid (2-nonylphenyl) ester IUPAC Name: (2-nonylphenyl) 2-sulfooxypropanoate Traditional Name: 2-sulfoxypropionic acid (2-nonylphenyl) ester Formula: C18H28O6S MolecularWeight: 372.47632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=CC=C1OC(=O)C(C)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCC1=CC=CC=C1OC(=O)C(C)OS(=O)(=O)O

InChI

InChI=1S/C18H28O6S/c1-3-4-5-6-7-8-9-12-16-13-10-11-14-17(16)23-18(19)15(2)24-25(20,21)22/h10-11,13-15H,3-9,12H2,1-2H3,(H,20,21,22)