octadecyl 3-ethylbenzoate

Systemtic Name: octadecyl 3-ethylbenzoate Openeye Name: octadecyl 3-ethylbenzoate CAS Name: 3-ethylbenzoic acid octadecyl ester IUPAC Name: octadecyl 3-ethylbenzoate Traditional Name: 3-ethylbenzoic acid stearyl ester Formula: C27H46O2 MolecularWeight: 402.65294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC(=CC=C1)CC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC(=CC=C1)CC

InChI

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