sodium 5-methyl-2-oxidanyl-3-(2-phenylpropan-2-yl)benzoate

Systemtic Name: sodium 5-methyl-2-oxidanyl-3-(2-phenylpropan-2-yl)benzoate Openeye Name: sodium 2-hydroxy-5-methyl-3-(1-methyl-1-phenyl-ethyl)benzoate CAS Name: sodium 2-hydroxy-5-methyl-3-(2-phenylpropan-2-yl)benzoate IUPAC Name: sodium 2-hydroxy-5-methyl-3-(2-phenylpropan-2-yl)benzoate Traditional Name: sodium 3-cumyl-2-hydroxy-5-methyl-benzoate Formula: C17H17NaO3 MolecularWeight: 292.30485

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)[O-])O)C(C)(C)C2=CC=CC=C2.[Na+]

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)[O-])O)C(C)(C)C2=CC=CC=C2.[Na+]

InChI

InChI=1S/C17H18O3.Na/c1-11-9-13(16(19)20)15(18)14(10-11)17(2,3)12-7-5-4-6-8-12;/h4-10,18H,1-3H3,(H,19,20);/q;+1/p-1