sodium 2-[oxidanyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]cyclohexane-1-carboxylate

Systemtic Name: sodium 2-[oxidanyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]cyclohexane-1-carboxylate Openeye Name: sodium 2-[hydroxy-(1,1,4,4-tetramethyltetralin-6-yl)methyl]cyclohexanecarboxylate CAS Name: sodium 2-[hydroxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]-1-cyclohexanecarboxylate IUPAC Name: sodium 2-[hydroxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]cyclohexane-1-carboxylate Traditional Name: sodium 2-[hydroxy-(1,1,4,4-tetramethyltetralin-6-yl)methyl]cyclohexanecarboxylate Formula: C22H31NaO3 MolecularWeight: 366.46951

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2=C1C=CC(=C2)C(C3CCCCC3C(=O)[O-])O)(C)C)C.[Na+]

Isomeric SMILES

CC1(CCC(C2=C1C=CC(=C2)C(C3CCCCC3C(=O)[O-])O)(C)C)C.[Na+]

InChI

InChI=1S/C22H32O3.Na/c1-21(2)11-12-22(3,4)18-13-14(9-10-17(18)21)19(23)15-7-5-6-8-16(15)20(24)25;/h9-10,13,15-16,19,23H,5-8,11-12H2,1-4H3,(H,24,25);/q;+1/p-1