sodium (E)-4-[5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxy-4-oxidanylidene-but-2-enoate

Systemtic Name: sodium (E)-4-[5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxy-4-oxidanylidene-but-2-enoate Openeye Name: sodium (E)-4-[5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexoxy]-4-oxo-but-2-enoate CAS Name: sodium (E)-4-[5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxy-4-oxo-2-butenoate IUPAC Name: sodium (E)-4-[5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxy-4-oxobut-2-enoate Traditional Name: sodium (E)-4-(2-cumyl-5-methyl-cyclohexoxy)-4-keto-but-2-enoate Formula: C20H25NaO4 MolecularWeight: 352.39987

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C=CC(=O)[O-])C(C)(C)C2=CC=CC=C2.[Na+]

Isomeric SMILES

CC1CCC(C(C1)OC(=O)/C=C/C(=O)[O-])C(C)(C)C2=CC=CC=C2.[Na+]

InChI

InChI=1S/C20H26O4.Na/c1-14-9-10-16(20(2,3)15-7-5-4-6-8-15)17(13-14)24-19(23)12-11-18(21)22;/h4-8,11-12,14,16-17H,9-10,13H2,1-3H3,(H,21,22);/q;+1/p-1/b12-11+;