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3,4,5-tri(hexadecan-8-yl)phthalic acid

3,4,5-tri(hexadecan-8-yl)phthalic acid

Systemtic Name:3,4,5-tri(hexadecan-8-yl)phthalic acid
Openeye Name:3,4,5-tris(1-heptylnonyl)phthalic acid
CAS Name:3,4,5-tri(hexadecan-8-yl)phthalic acid
IUPAC Name:3,4,5-tri(hexadecan-8-yl)phthalic acid
Traditional Name:3,4,5-tris(1-heptylnonyl)phthalic acid
Formula: C56H102O4
MolecularWeight: 839.40668
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCC)C1=C(C(=C(C(=C1)C(=O)O)C(=O)O)C(CCCCCCC)CCCCCCCC)C(CCCCCCC)CCCCCCCC


Isomeric SMILES

CCCCCCCCC(CCCCCCC)C1=C(C(=C(C(=C1)C(=O)O)C(=O)O)C(CCCCCCC)CCCCCCCC)C(CCCCCCC)CCCCCCCC


InChI

InChI=1S/C56H102O4/c1-7-13-19-25-31-35-41-47(40-34-28-22-16-10-4)50-46-51(55(57)58)54(56(59)60)53(49(44-37-30-24-18-12-6)45-39-33-27-21-15-9-3)52(50)48(42-36-29-23-17-11-5)43-38-32-26-20-14-8-2/h46-49H,7-45H2,1-6H3,(H,57,58)(H,59,60)


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