pentadecan-3-yl 3-bromanylbenzoate

Systemtic Name: pentadecan-3-yl 3-bromanylbenzoate Openeye Name: 1-ethyltridecyl 3-bromobenzoate CAS Name: 3-bromobenzoic acid pentadecan-3-yl ester IUPAC Name: pentadecan-3-yl 3-bromobenzoate Traditional Name: 3-bromobenzoic acid 1-ethyltridecyl ester Formula: C22H35BrO2 MolecularWeight: 411.4161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35BrO2/c1-3-5-6-7-8-9-10-11-12-13-17-21(4-2)25-22(24)19-15-14-16-20(23)18-19/h14-16,18,21H,3-13,17H2,1-2H3