hexadecan-4-yl 3-bromanylbenzoate

Systemtic Name: hexadecan-4-yl 3-bromanylbenzoate Openeye Name: 1-propyltridecyl 3-bromobenzoate CAS Name: 3-bromobenzoic acid hexadecan-4-yl ester IUPAC Name: hexadecan-4-yl 3-bromobenzoate Traditional Name: 3-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=C1)Br

Isomeric SMILES

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

InChI

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