(E)-4-(1-cyclohexyl-1-oxidanylidene-4-phenyl-pentan-2-yl)oxy-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-(1-cyclohexyl-1-oxidanylidene-4-phenyl-pentan-2-yl)oxy-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[1-(cyclohexanecarbonyl)-3-phenyl-butoxy]-4-oxo-but-2-enoic acid CAS Name: (E)-4-(1-cyclohexyl-1-oxo-4-phenylpentan-2-yl)oxy-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(1-cyclohexyl-1-oxo-4-phenylpentan-2-yl)oxy-4-oxobut-2-enoic acid Traditional Name: (E)-4-[1-(cyclohexanecarbonyl)-3-phenyl-butoxy]-4-keto-but-2-enoic acid Formula: C21H26O5 MolecularWeight: 358.42814

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(=O)C1CCCCC1)OC(=O)C=CC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(CC(C(=O)C1CCCCC1)OC(=O)/C=C/C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C21H26O5/c1-15(16-8-4-2-5-9-16)14-18(26-20(24)13-12-19(22)23)21(25)17-10-6-3-7-11-17/h2,4-5,8-9,12-13,15,17-18H,3,6-7,10-11,14H2,1H3,(H,22,23)/b13-12+