2-(2,3-diacetyloxypropylsulfonyl)-2-methyl-3-naphthalen-1-yl-propanoic acid

Systemtic Name: 2-(2,3-diacetyloxypropylsulfonyl)-2-methyl-3-naphthalen-1-yl-propanoic acid Openeye Name: 2-(2,3-diacetoxypropylsulfonyl)-2-methyl-3-(1-naphthyl)propanoic acid CAS Name: 2-(2,3-diacetyloxypropylsulfonyl)-2-methyl-3-(1-naphthalenyl)propanoic acid IUPAC Name: 2-(2,3-diacetyloxypropylsulfonyl)-2-methyl-3-naphthalen-1-ylpropanoic acid Traditional Name: 2-(2,3-diacetoxypropylsulfonyl)-2-methyl-3-(1-naphthyl)propionic acid Formula: C21H24O8S MolecularWeight: 436.47546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CS(=O)(=O)C(C)(CC1=CC=CC2=CC=CC=C21)C(=O)O)OC(=O)C

Isomeric SMILES

CC(=O)OCC(CS(=O)(=O)C(C)(CC1=CC=CC2=CC=CC=C21)C(=O)O)OC(=O)C

InChI

InChI=1S/C21H24O8S/c1-14(22)28-12-18(29-15(2)23)13-30(26,27)21(3,20(24)25)11-17-9-6-8-16-7-4-5-10-19(16)17/h4-10,18H,11-13H2,1-3H3,(H,24,25)