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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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