(E)-4-(3-octadecan-4-ylphenyl)-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-(3-octadecan-4-ylphenyl)-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-oxo-4-[3-(1-propylpentadecyl)phenyl]but-2-enoic acid CAS Name: (E)-4-(3-octadecan-4-ylphenyl)-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(3-octadecan-4-ylphenyl)-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-[3-(1-propylpentadecyl)phenyl]but-2-enoic acid Formula: C28H44O3 MolecularWeight: 428.64716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CCC)C1=CC=CC(=C1)C(=O)C=CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCC(CCC)C1=CC=CC(=C1)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C28H44O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-24(17-4-2)25-19-16-20-26(23-25)27(29)21-22-28(30)31/h16,19-24H,3-15,17-18H2,1-2H3,(H,30,31)/b22-21+