2-ethoxy-5-octadecoxy-benzoic acid

Systemtic Name: 2-ethoxy-5-octadecoxy-benzoic acid Openeye Name: 2-ethoxy-5-octadecoxy-benzoic acid CAS Name: 2-ethoxy-5-octadecoxybenzoic acid IUPAC Name: 2-ethoxy-5-octadecoxybenzoic acid Traditional Name: 2-ethoxy-5-stearyloxy-benzoic acid Formula: C27H46O4 MolecularWeight: 434.65174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OCC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OCC)C(=O)O

InChI

InChI=1S/C27H46O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-31-24-20-21-26(30-4-2)25(23-24)27(28)29/h20-21,23H,3-19,22H2,1-2H3,(H,28,29)