sodium 7-[2-(dioxidanylsulfonyloxy)-3,4,6-trimethyl-phenyl]-7-phenyl-heptanoic acid

Systemtic Name: sodium 7-[2-(dioxidanylsulfonyloxy)-3,4,6-trimethyl-phenyl]-7-phenyl-heptanoic acid Openeye Name: sodium 7-(2-hydroperoxysulfonyloxy-3,4,6-trimethyl-phenyl)-7-phenyl-heptanoic acid CAS Name: sodium 7-(2-hydroperoxysulfonyloxy-3,4,6-trimethylphenyl)-7-phenylheptanoic acid IUPAC Name: sodium 7-(2-hydroperoxysulfonyloxy-3,4,6-trimethylphenyl)-7-phenylheptanoic acid Traditional Name: sodium 7-(2-hydroperoxysulfonyloxy-3,4,6-trimethyl-phenyl)-7-phenyl-enanthic acid Formula: C22H28NaO7S+ MolecularWeight: 459.50829

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)OS(=O)(=O)OO)C(CCCCCC(=O)O)C2=CC=CC=C2)C.[Na+]

Isomeric SMILES

CC1=CC(=C(C(=C1C)OS(=O)(=O)OO)C(CCCCCC(=O)O)C2=CC=CC=C2)C.[Na+]

InChI

InChI=1S/C22H28O7S.Na/c1-15-14-16(2)21(22(17(15)3)28-30(26,27)29-25)19(18-10-6-4-7-11-18)12-8-5-9-13-20(23)24;/h4,6-7,10-11,14,19,25H,5,8-9,12-13H2,1-3H3,(H,23,24);/q;+1