octadecyl 4-ethylbenzoate

Systemtic Name: octadecyl 4-ethylbenzoate Openeye Name: octadecyl 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid octadecyl ester IUPAC Name: octadecyl 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid stearyl ester Formula: C27H46O2 MolecularWeight: 402.65294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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