[2,3,4,5-tetrakis(oxidanyl)-6-oxidanylidene-hexyl] 4-methylbenzenesulfonate

Systemtic Name: [2,3,4,5-tetrakis(oxidanyl)-6-oxidanylidene-hexyl] 4-methylbenzenesulfonate Openeye Name: (2,3,4,5-tetrahydroxy-6-oxo-hexyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2,3,4,5-tetrahydroxy-6-oxohexyl) ester IUPAC Name: (2,3,4,5-tetrahydroxy-6-oxohexyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2,3,4,5-tetrahydroxy-6-keto-hexyl) ester Formula: C13H18O8S MolecularWeight: 334.34222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(C(C(C=O)O)O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(C(C(C=O)O)O)O)O

InChI

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