ethyl 2-henicosan-4-yl-3-methyl-benzoate

Systemtic Name: ethyl 2-henicosan-4-yl-3-methyl-benzoate Openeye Name: ethyl 3-methyl-2-(1-propyloctadecyl)benzoate CAS Name: 2-heneicosan-4-yl-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 2-henicosan-4-yl-3-methylbenzoate Traditional Name: 3-methyl-2-(1-propyloctadecyl)benzoic acid ethyl ester Formula: C31H54O2 MolecularWeight: 458.75926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CCC)C1=C(C=CC=C1C)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CCC)C1=C(C=CC=C1C)C(=O)OCC

InChI

InChI=1S/C31H54O2/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28(23-6-2)30-27(4)24-22-26-29(30)31(32)33-7-3/h22,24,26,28H,5-21,23,25H2,1-4H3