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2-(1-hexadecyl-1,2,3,4-tetrazol-5-yl)-2-phenyl-ethanoic acid

2-(1-hexadecyl-1,2,3,4-tetrazol-5-yl)-2-phenyl-ethanoic acid

Systemtic Name:2-(1-hexadecyl-1,2,3,4-tetrazol-5-yl)-2-phenyl-ethanoic acid
Openeye Name:2-(1-hexadecyltetrazol-5-yl)-2-phenyl-acetic acid
CAS Name:2-(1-hexadecyl-5-tetrazolyl)-2-phenylacetic acid
IUPAC Name:2-(1-hexadecyltetrazol-5-yl)-2-phenylacetic acid
Traditional Name:2-(1-cetyltetrazol-5-yl)-2-phenyl-acetic acid
Formula: C25H40N4O2
MolecularWeight: 428.6107
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C(=NN=N1)C(C2=CC=CC=C2)C(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCN1C(=NN=N1)C(C2=CC=CC=C2)C(=O)O


InChI

InChI=1S/C25H40N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-29-24(26-27-28-29)23(25(30)31)22-19-16-15-17-20-22/h15-17,19-20,23H,2-14,18,21H2,1H3,(H,30,31)


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