3-ethyl-2-octadecyl-benzoic acid

Systemtic Name: 3-ethyl-2-octadecyl-benzoic acid Openeye Name: 3-ethyl-2-octadecyl-benzoic acid CAS Name: 3-ethyl-2-octadecylbenzoic acid IUPAC Name: 3-ethyl-2-octadecylbenzoic acid Traditional Name: 3-ethyl-2-stearyl-benzoic acid Formula: C27H46O2 MolecularWeight: 402.65294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C(C=CC=C1CC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C(C=CC=C1CC)C(=O)O

InChI

InChI=1S/C27H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-24(4-2)21-20-23-26(25)27(28)29/h20-21,23H,3-19,22H2,1-2H3,(H,28,29)