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2-hexadecan-3-ylbenzoate; propanoate

2-hexadecan-3-ylbenzoate; propanoate

Systemtic Name:2-hexadecan-3-ylbenzoate; propanoate
Openeye Name:2-(1-ethyltetradecyl)benzoate; propanoate
CAS Name:2-hexadecan-3-ylbenzoate; propanoate
IUPAC Name:2-hexadecan-3-ylbenzoate; propanoate
Traditional Name:2-(1-ethyltetradecyl)benzoate; propionate
Formula: C26H42O4-2
MolecularWeight: 418.60928
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC)C1=CC=CC=C1C(=O)[O-].CCC(=O)[O-]


Isomeric SMILES

CCCCCCCCCCCCCC(CC)C1=CC=CC=C1C(=O)[O-].CCC(=O)[O-]


InChI

InChI=1S/C23H38O2.C3H6O2/c1-3-5-6-7-8-9-10-11-12-13-14-17-20(4-2)21-18-15-16-19-22(21)23(24)25;1-2-3(4)5/h15-16,18-20H,3-14,17H2,1-2H3,(H,24,25);2H2,1H3,(H,4,5)/p-2


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