(Z)-3-methyl-4-(4-octadecylphenyl)-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (Z)-3-methyl-4-(4-octadecylphenyl)-4-oxidanylidene-but-2-enoic acid Openeye Name: (Z)-3-methyl-4-(4-octadecylphenyl)-4-oxo-but-2-enoic acid CAS Name: (Z)-3-methyl-4-(4-octadecylphenyl)-4-oxo-2-butenoic acid IUPAC Name: (Z)-3-methyl-4-(4-octadecylphenyl)-4-oxobut-2-enoic acid Traditional Name: (Z)-4-keto-3-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(=CC(=O)O)C

Isomeric SMILES

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

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)29(32)25(2)24-28(30)31/h20-24H,3-19H2,1-2H3,(H,30,31)/b25-24-