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butyl octadecanoate; octadecanoic acid

butyl octadecanoate; octadecanoic acid

Systemtic Name:butyl octadecanoate; octadecanoic acid
Openeye Name:butyl octadecanoate; stearic acid
CAS Name:octadecanoic acid; octadecanoic acid butyl ester
IUPAC Name:butyl octadecanoate; octadecanoic acid
Traditional Name:stearic acid; stearic acid butyl ester
Formula: C40H80O4
MolecularWeight: 625.0608
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)OCCCC


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)OCCCC


InChI

InChI=1S/C22H44O2.C18H36O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-21H2,1-2H3;2-17H2,1H3,(H,19,20)


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