magnesium 3-[1,2-bis(oxidanyl)-2-phenyl-ethyl]-1,2,2-trimethyl-cyclopentane-1-carboxylate

Systemtic Name: magnesium 3-[1,2-bis(oxidanyl)-2-phenyl-ethyl]-1,2,2-trimethyl-cyclopentane-1-carboxylate Openeye Name: magnesium 3-(1,2-dihydroxy-2-phenyl-ethyl)-1,2,2-trimethyl-cyclopentanecarboxylate CAS Name: magnesium 3-(1,2-dihydroxy-2-phenylethyl)-1,2,2-trimethyl-1-cyclopentanecarboxylate IUPAC Name: magnesium 3-(1,2-dihydroxy-2-phenylethyl)-1,2,2-trimethylcyclopentane-1-carboxylate Traditional Name: magnesium 3-(1,2-dihydroxy-2-phenyl-ethyl)-1,2,2-trimethyl-cyclopentanecarboxylate Formula: C34H46MgO8 MolecularWeight: 607.02924

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCC1(C)C(=O)[O-])C(C(C2=CC=CC=C2)O)O)C.CC1(C(CCC1(C)C(=O)[O-])C(C(C2=CC=CC=C2)O)O)C.[Mg+2]

Isomeric SMILES

CC1(C(CCC1(C)C(=O)[O-])C(C(C2=CC=CC=C2)O)O)C.CC1(C(CCC1(C)C(=O)[O-])C(C(C2=CC=CC=C2)O)O)C.[Mg+2]

InChI

InChI=1S/2C17H24O4.Mg/c2*1-16(2)12(9-10-17(16,3)15(20)21)14(19)13(18)11-7-5-4-6-8-11;/h2*4-8,12-14,18-19H,9-10H2,1-3H3,(H,20,21);/q;;+2/p-2