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5-(2-methylpropyl)-4-phenyl-octadecanoic acid

5-(2-methylpropyl)-4-phenyl-octadecanoic acid

Systemtic Name:5-(2-methylpropyl)-4-phenyl-octadecanoic acid
Openeye Name:5-isobutyl-4-phenyl-octadecanoic acid
CAS Name:5-(2-methylpropyl)-4-phenyloctadecanoic acid
IUPAC Name:5-(2-methylpropyl)-4-phenyloctadecanoic acid
Traditional Name:5-isobutyl-4-phenyl-stearic acid
Formula: C28H48O2
MolecularWeight: 416.67952
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(C)C)C(CCC(=O)O)C1=CC=CC=C1


Isomeric SMILES

CCCCCCCCCCCCCC(CC(C)C)C(CCC(=O)O)C1=CC=CC=C1


InChI

InChI=1S/C28H48O2/c1-4-5-6-7-8-9-10-11-12-13-15-20-26(23-24(2)3)27(21-22-28(29)30)25-18-16-14-17-19-25/h14,16-19,24,26-27H,4-13,15,20-23H2,1-3H3,(H,29,30)


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