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octadecanoic acid; 2,2,4,6,6-pentamethyl-1-(phenylmethyl)piperidine

octadecanoic acid; 2,2,4,6,6-pentamethyl-1-(phenylmethyl)piperidine

Systemtic Name:octadecanoic acid; 2,2,4,6,6-pentamethyl-1-(phenylmethyl)piperidine
Openeye Name:1-benzyl-2,2,4,6,6-pentamethyl-piperidine; stearic acid
CAS Name:octadecanoic acid; 2,2,4,6,6-pentamethyl-1-(phenylmethyl)piperidine
IUPAC Name:1-benzyl-2,2,4,6,6-pentamethylpiperidine; octadecanoic acid
Traditional Name:1-benzyl-2,2,4,6,6-pentamethyl-piperidine; stearic acid
Formula: C35H63NO2
MolecularWeight: 529.88022
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)O.CC1CC(N(C(C1)(C)C)CC2=CC=CC=C2)(C)C


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)O.CC1CC(N(C(C1)(C)C)CC2=CC=CC=C2)(C)C


InChI

InChI=1S/C18H36O2.C17H27N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-14-11-16(2,3)18(17(4,5)12-14)13-15-9-7-6-8-10-15/h2-17H2,1H3,(H,19,20);6-10,14H,11-13H2,1-5H3


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