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

Systemtic Name: ethyl 2-henicosan-4-yl-3-methoxy-benzoate Openeye Name: ethyl 3-methoxy-2-(1-propyloctadecyl)benzoate CAS Name: 2-heneicosan-4-yl-3-methoxybenzoic acid ethyl ester IUPAC Name: ethyl 2-henicosan-4-yl-3-methoxybenzoate Traditional Name: 3-methoxy-2-(1-propyloctadecyl)benzoic acid ethyl ester Formula: C31H54O3 MolecularWeight: 474.75866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CCC)C1=C(C=CC=C1OC)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CCC)C1=C(C=CC=C1OC)C(=O)OCC

InChI

InChI=1S/C31H54O3/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-27(23-6-2)30-28(31(32)34-7-3)25-22-26-29(30)33-4/h22,25-27H,5-21,23-24H2,1-4H3