(E)-2-methyl-4-(4-octadecylphenyl)-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-2-methyl-4-(4-octadecylphenyl)-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-2-methyl-4-(4-octadecylphenyl)-4-oxo-but-2-enoic acid CAS Name: (E)-2-methyl-4-(4-octadecylphenyl)-4-oxo-2-butenoic acid IUPAC Name: (E)-2-methyl-4-(4-octadecylphenyl)-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-2-methyl-4-(4-stearylphenyl)but-2-enoic acid Formula: C29H46O3 MolecularWeight: 442.67374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)C(=O)C=C(C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)C(=O)/C=C(\C)/C(=O)O

InChI

InChI=1S/C29H46O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-20-22-27(23-21-26)28(30)24-25(2)29(31)32/h20-24H,3-19H2,1-2H3,(H,31,32)/b25-24+