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

Systemtic Name: (Z)-4-(4-octadecylphenyl)-4-oxidanylidene-but-2-enoic acid Openeye Name: (Z)-4-(4-octadecylphenyl)-4-oxo-but-2-enoic acid CAS Name: (Z)-4-(4-octadecylphenyl)-4-oxo-2-butenoic acid IUPAC Name: (Z)-4-(4-octadecylphenyl)-4-oxobut-2-enoic acid Traditional Name: (Z)-4-keto-4-(4-stearylphenyl)but-2-enoic acid Formula: C28H44O3 MolecularWeight: 428.64716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-19-21-26(22-20-25)27(29)23-24-28(30)31/h19-24H,2-18H2,1H3,(H,30,31)/b24-23-