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16-methylheptadecyl benzoate

16-methylheptadecyl benzoate

Systemtic Name:16-methylheptadecyl benzoate
Openeye Name:16-methylheptadecyl benzoate
CAS Name:benzoic acid 16-methylheptadecyl ester
IUPAC Name:16-methylheptadecyl benzoate
Traditional Name:benzoic acid 16-methylheptadecyl ester
Formula: C25H42O2
MolecularWeight: 374.59978
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1


Isomeric SMILES

CC(C)CCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1


InChI

InChI=1S/C25H42O2/c1-23(2)19-15-12-10-8-6-4-3-5-7-9-11-13-18-22-27-25(26)24-20-16-14-17-21-24/h14,16-17,20-21,23H,3-13,15,18-19,22H2,1-2H3


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