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hexacosan-13-yl benzoate

hexacosan-13-yl benzoate

Systemtic Name:hexacosan-13-yl benzoate
Openeye Name:1-dodecyltetradecyl benzoate
CAS Name:benzoic acid hexacosan-13-yl ester
IUPAC Name:hexacosan-13-yl benzoate
Traditional Name:benzoic acid 1-lauryltetradecyl ester
Formula: C33H58O2
MolecularWeight: 486.81242
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CCCCCCCCCCCC)OC(=O)C1=CC=CC=C1


Isomeric SMILES

CCCCCCCCCCCCCC(CCCCCCCCCCCC)OC(=O)C1=CC=CC=C1


InChI

InChI=1S/C33H58O2/c1-3-5-7-9-11-13-15-17-19-21-26-30-32(35-33(34)31-27-23-22-24-28-31)29-25-20-18-16-14-12-10-8-6-4-2/h22-24,27-28,32H,3-21,25-26,29-30H2,1-2H3


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