sodium [3-methyl-6-(2-methylbutoxy)-4,5-bis(phenylmethoxy)oxan-2-yl]methanesulfonate

Systemtic Name: sodium [3-methyl-6-(2-methylbutoxy)-4,5-bis(phenylmethoxy)oxan-2-yl]methanesulfonate Openeye Name: sodium [4,5-dibenzyloxy-3-methyl-6-(2-methylbutoxy)tetrahydropyran-2-yl]methanesulfonate CAS Name: sodium [3-methyl-6-(2-methylbutoxy)-4,5-bis(phenylmethoxy)-2-oxanyl]methanesulfonate IUPAC Name: sodium [3-methyl-6-(2-methylbutoxy)-4,5-bis(phenylmethoxy)oxan-2-yl]methanesulfonate Traditional Name: sodium [4,5-dibenzoxy-3-methyl-6-(2-methylbutoxy)tetrahydropyran-2-yl]methanesulfonate Formula: C26H35NaO7S MolecularWeight: 514.60667

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)COC1C(C(C(C(O1)CS(=O)(=O)[O-])C)OCC2=CC=CC=C2)OCC3=CC=CC=C3.[Na+]

Isomeric SMILES

CCC(C)COC1C(C(C(C(O1)CS(=O)(=O)[O-])C)OCC2=CC=CC=C2)OCC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C26H36O7S.Na/c1-4-19(2)15-32-26-25(31-17-22-13-9-6-10-14-22)24(30-16-21-11-7-5-8-12-21)20(3)23(33-26)18-34(27,28)29;/h5-14,19-20,23-26H,4,15-18H2,1-3H3,(H,27,28,29);/q;+1/p-1