[2-(bromomethyl)-3-hexadecoxy-1-oxidanyl-propyl] benzoate

Systemtic Name: [2-(bromomethyl)-3-hexadecoxy-1-oxidanyl-propyl] benzoate Openeye Name: [2-(bromomethyl)-3-hexadecoxy-1-hydroxy-propyl] benzoate CAS Name: benzoic acid [2-(bromomethyl)-3-hexadecoxy-1-hydroxypropyl] ester IUPAC Name: [2-(bromomethyl)-3-hexadecoxy-1-hydroxypropyl] benzoate Traditional Name: benzoic acid [2-(bromomethyl)-3-cetyloxy-1-hydroxy-propyl] ester Formula: C27H45BrO4 MolecularWeight: 513.5478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CBr)C(O)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CBr)C(O)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C27H45BrO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-31-23-25(22-28)27(30)32-26(29)24-19-16-15-17-20-24/h15-17,19-20,25,27,30H,2-14,18,21-23H2,1H3