(E)-4-(5-ethyl-13-methyl-tetradecan-7-yl)oxy-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-(5-ethyl-13-methyl-tetradecan-7-yl)oxy-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[1-(2-ethylhexyl)-7-methyl-octoxy]-4-oxo-but-2-enoic acid CAS Name: (E)-4-(5-ethyl-13-methyltetradecan-7-yl)oxy-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(5-ethyl-13-methyltetradecan-7-yl)oxy-4-oxobut-2-enoic acid Traditional Name: (E)-4-[1-(2-ethylhexyl)-7-methyl-octoxy]-4-keto-but-2-enoic acid Formula: C21H38O4 MolecularWeight: 354.52402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(CCCCCC(C)C)OC(=O)C=CC(=O)O

Isomeric SMILES

CCCCC(CC)CC(CCCCCC(C)C)OC(=O)/C=C/C(=O)O

InChI

InChI=1S/C21H38O4/c1-5-7-12-18(6-2)16-19(13-10-8-9-11-17(3)4)25-21(24)15-14-20(22)23/h14-15,17-19H,5-13,16H2,1-4H3,(H,22,23)/b15-14+