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hexanedioic acid; 3-tetradecanoyloxybutyl hexadecanoate

hexanedioic acid; 3-tetradecanoyloxybutyl hexadecanoate

Systemtic Name:hexanedioic acid; 3-tetradecanoyloxybutyl hexadecanoate
Openeye Name:adipic acid; 3-tetradecanoyloxybutyl hexadecanoate
CAS Name:hexadecanoic acid 3-(1-oxotetradecoxy)butyl ester; hexanedioic acid
IUPAC Name:hexanedioic acid; 3-tetradecanoyloxybutyl hexadecanoate
Traditional Name:adipic acid; palmitic acid 3-tetradecanoyloxybutyl ester
Formula: C40H76O8
MolecularWeight: 685.02664
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCCC(C)OC(=O)CCCCCCCCCCCCC.C(CCC(=O)O)CC(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCCC(C)OC(=O)CCCCCCCCCCCCC.C(CCC(=O)O)CC(=O)O


InChI

InChI=1S/C34H66O4.C6H10O4/c1-4-6-8-10-12-14-16-17-19-20-22-24-26-28-33(35)37-31-30-32(3)38-34(36)29-27-25-23-21-18-15-13-11-9-7-5-2;7-5(8)3-1-2-4-6(9)10/h32H,4-31H2,1-3H3;1-4H2,(H,7,8)(H,9,10)


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