2-azanyl-3-[2,6-di(propan-2-yl)phenoxy]carbonyloxy-propanoic acid; methanesulfonic acid

Systemtic Name: 2-azanyl-3-[2,6-di(propan-2-yl)phenoxy]carbonyloxy-propanoic acid; methanesulfonic acid Openeye Name: 2-amino-3-(2,6-diisopropylphenoxy)carbonyloxy-propanoic acid; methanesulfonic acid CAS Name: 2-amino-3-[[2,6-di(propan-2-yl)phenoxy]-oxomethoxy]propanoic acid; methanesulfonic acid IUPAC Name: 2-amino-3-[2,6-di(propan-2-yl)phenoxy]carbonyloxypropanoic acid; methanesulfonic acid Traditional Name: 2-amino-3-(2,6-diisopropylphenoxy)carbonyloxy-propionic acid; mesylic acid Formula: C17H27NO8S MolecularWeight: 405.46318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)OC(=O)OCC(C(=O)O)N.CS(=O)(=O)O

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)OC(=O)OCC(C(=O)O)N.CS(=O)(=O)O

InChI

InChI=1S/C16H23NO5.CH4O3S/c1-9(2)11-6-5-7-12(10(3)4)14(11)22-16(20)21-8-13(17)15(18)19;1-5(2,3)4/h5-7,9-10,13H,8,17H2,1-4H3,(H,18,19);1H3,(H,2,3,4)