methyl 3-(bromomethyl)benzoate; methyl 3-(3-tetradecyloxiran-2-yl)benzoate

Systemtic Name: methyl 3-(bromomethyl)benzoate; methyl 3-(3-tetradecyloxiran-2-yl)benzoate Openeye Name: methyl 3-(bromomethyl)benzoate; methyl 3-(3-tetradecyloxiran-2-yl)benzoate CAS Name: 3-(bromomethyl)benzoic acid methyl ester; 3-(3-tetradecyl-2-oxiranyl)benzoic acid methyl ester IUPAC Name: methyl 3-(bromomethyl)benzoate; methyl 3-(3-tetradecyloxiran-2-yl)benzoate Traditional Name: 3-(bromomethyl)benzoic acid methyl ester; 3-(3-myristyloxiran-2-yl)benzoic acid methyl ester Formula: C33H47BrO5 MolecularWeight: 603.62728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1C(O1)C2=CC=CC(=C2)C(=O)OC.COC(=O)C1=CC(=CC=C1)CBr

Isomeric SMILES

CCCCCCCCCCCCCCC1C(O1)C2=CC=CC(=C2)C(=O)OC.COC(=O)C1=CC(=CC=C1)CBr

InChI

InChI=1S/C24H38O3.C9H9BrO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-22-23(27-22)20-16-15-17-21(19-20)24(25)26-2;1-12-9(11)8-4-2-3-7(5-8)6-10/h15-17,19,22-23H,3-14,18H2,1-2H3;2-5H,6H2,1H3