[3,4,5,6-tetrakis(oxidanyl)-1-oxidanylidene-hexan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [3,4,5,6-tetrakis(oxidanyl)-1-oxidanylidene-hexan-2-yl] 4-methylbenzenesulfonate Openeye Name: (1-formyl-2,3,4,5-tetrahydroxy-pentyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3,4,5,6-tetrahydroxy-1-oxohexan-2-yl) ester IUPAC Name: (3,4,5,6-tetrahydroxy-1-oxohexan-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-formyl-2,3,4,5-tetrahydroxy-pentyl) ester Formula: C13H18O8S MolecularWeight: 334.34222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C=O)C(C(C(CO)O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C=O)C(C(C(CO)O)O)O

InChI

InChI=1S/C13H18O8S/c1-8-2-4-9(5-3-8)22(19,20)21-11(7-15)13(18)12(17)10(16)6-14/h2-5,7,10-14,16-18H,6H2,1H3