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hexanedioate; octyl octadecanoate

hexanedioate; octyl octadecanoate

Systemtic Name:hexanedioate; octyl octadecanoate
Openeye Name:hexanedioate; octyl octadecanoate
CAS Name:hexanedioate; octadecanoic acid octyl ester
IUPAC Name:hexanedioate; octyl octadecanoate
Traditional Name:adipate; stearic acid octyl ester
Formula: C32H60O6-2
MolecularWeight: 540.8152
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCC.C(CCC(=O)[O-])CC(=O)[O-]


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCC.C(CCC(=O)[O-])CC(=O)[O-]


InChI

InChI=1S/C26H52O2.C6H10O4/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26(27)28-25-23-21-10-8-6-4-2;7-5(8)3-1-2-4-6(9)10/h3-25H2,1-2H3;1-4H2,(H,7,8)(H,9,10)/p-2


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