2-(3-octadecylphenyl)carbonylprop-2-enoic acid

Systemtic Name: 2-(3-octadecylphenyl)carbonylprop-2-enoic acid Openeye Name: 2-(3-octadecylbenzoyl)prop-2-enoic acid CAS Name: 2-[(3-octadecylphenyl)-oxomethyl]-2-propenoic acid IUPAC Name: 2-(3-octadecylbenzoyl)prop-2-enoic acid Traditional Name: 2-(3-stearylbenzoyl)acrylic acid Formula: C28H44O3 MolecularWeight: 428.64716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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