[2,3,4,5,6-pentakis(oxidanyl)cyclohexyl] 4-methylbenzenesulfonate

Systemtic Name: [2,3,4,5,6-pentakis(oxidanyl)cyclohexyl] 4-methylbenzenesulfonate Openeye Name: (2,3,4,5,6-pentahydroxycyclohexyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2,3,4,5,6-pentahydroxycyclohexyl) ester IUPAC Name: (2,3,4,5,6-pentahydroxycyclohexyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2,3,4,5,6-pentahydroxycyclohexyl) ester Formula: C13H18O8S MolecularWeight: 334.34222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C(C(C(C(C2O)O)O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2C(C(C(C(C2O)O)O)O)O

InChI

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