3-(4-dodecoxyphenyl)carbonylbenzoic acid; ethanoic acid

Systemtic Name: 3-(4-dodecoxyphenyl)carbonylbenzoic acid; ethanoic acid Openeye Name: acetic acid; 3-(4-dodecoxybenzoyl)benzoic acid CAS Name: acetic acid; 3-[(4-dodecoxyphenyl)-oxomethyl]benzoic acid IUPAC Name: acetic acid; 3-(4-dodecoxybenzoyl)benzoic acid Traditional Name: acetic acid; 3-(4-lauryloxybenzoyl)benzoic acid Formula: C28H38O6 MolecularWeight: 470.59772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)C(=O)O.CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)C(=O)O.CC(=O)O

InChI

InChI=1S/C26H34O4.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-19-30-24-17-15-21(16-18-24)25(27)22-13-12-14-23(20-22)26(28)29;1-2(3)4/h12-18,20H,2-11,19H2,1H3,(H,28,29);1H3,(H,3,4)