sodium (E)-4-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-4-oxidanylidene-but-2-enoate

Systemtic Name: sodium (E)-4-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-4-oxidanylidene-but-2-enoate Openeye Name: sodium (E)-4-(2-isopropyl-5-methyl-cyclohexoxy)-4-oxo-but-2-enoate CAS Name: sodium (E)-4-(5-methyl-2-propan-2-ylcyclohexyl)oxy-4-oxo-2-butenoate IUPAC Name: sodium (E)-4-(5-methyl-2-propan-2-ylcyclohexyl)oxy-4-oxobut-2-enoate Traditional Name: sodium (E)-4-(2-isopropyl-5-methyl-cyclohexoxy)-4-keto-but-2-enoate Formula: C14H21NaO4 MolecularWeight: 276.30391

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C=CC(=O)[O-])C(C)C.[Na+]

Isomeric SMILES

CC1CCC(C(C1)OC(=O)/C=C/C(=O)[O-])C(C)C.[Na+]

InChI

InChI=1S/C14H22O4.Na/c1-9(2)11-5-4-10(3)8-12(11)18-14(17)7-6-13(15)16;/h6-7,9-12H,4-5,8H2,1-3H3,(H,15,16);/q;+1/p-1/b7-6+;