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

Systemtic Name: [6-nitrooxy-2,3,4,5-tetrakis(oxidanyl)hexyl] 4-methylbenzenesulfonate Openeye Name: (2,3,4,5-tetrahydroxy-6-nitrooxy-hexyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2,3,4,5-tetrahydroxy-6-nitrooxyhexyl) ester IUPAC Name: (2,3,4,5-tetrahydroxy-6-nitrooxyhexyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2,3,4,5-tetrahydroxy-6-nitrooxy-hexyl) ester Formula: C13H19NO10S MolecularWeight: 381.35566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(C(C(CO[N+](=O)[O-])O)O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(C(C(CO[N+](=O)[O-])O)O)O)O

InChI

InChI=1S/C13H19NO10S/c1-8-2-4-9(5-3-8)25(21,22)24-7-11(16)13(18)12(17)10(15)6-23-14(19)20/h2-5,10-13,15-18H,6-7H2,1H3