hexadecan-4-yl 2-bromanylbenzoate

Systemtic Name: hexadecan-4-yl 2-bromanylbenzoate Openeye Name: 1-propyltridecyl 2-bromobenzoate CAS Name: 2-bromobenzoic acid hexadecan-4-yl ester IUPAC Name: hexadecan-4-yl 2-bromobenzoate Traditional Name: 2-bromobenzoic acid 1-propyltridecyl ester Formula: C23H37BrO2 MolecularWeight: 425.44268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCC)OC(=O)C1=CC=CC=C1Br

Isomeric SMILES

CCCCCCCCCCCCC(CCC)OC(=O)C1=CC=CC=C1Br

InChI

InChI=1S/C23H37BrO2/c1-3-5-6-7-8-9-10-11-12-13-17-20(16-4-2)26-23(25)21-18-14-15-19-22(21)24/h14-15,18-20H,3-13,16-17H2,1-2H3