sodium 3-methyl-3-[4-(2-methylpropyl)phenyl]oxirane-2-carboxylate

Systemtic Name: sodium 3-methyl-3-[4-(2-methylpropyl)phenyl]oxirane-2-carboxylate Openeye Name: sodium 3-(4-isobutylphenyl)-3-methyl-oxirane-2-carboxylate CAS Name: sodium 3-methyl-3-[4-(2-methylpropyl)phenyl]-2-oxiranecarboxylate IUPAC Name: sodium 3-methyl-3-[4-(2-methylpropyl)phenyl]oxirane-2-carboxylate Traditional Name: sodium 3-(4-isobutylphenyl)-3-methyl-oxirane-2-carboxylate Formula: C14H17NaO3 MolecularWeight: 256.27275

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2(C(O2)C(=O)[O-])C.[Na+]

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2(C(O2)C(=O)[O-])C.[Na+]

InChI

InChI=1S/C14H18O3.Na/c1-9(2)8-10-4-6-11(7-5-10)14(3)12(17-14)13(15)16;/h4-7,9,12H,8H2,1-3H3,(H,15,16);/q;+1/p-1