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dihexadecan-6-yl benzene-1,4-dicarboxylate

dihexadecan-6-yl benzene-1,4-dicarboxylate

Systemtic Name:dihexadecan-6-yl benzene-1,4-dicarboxylate
Openeye Name:bis(1-pentylundecyl) benzene-1,4-dicarboxylate
CAS Name:benzene-1,4-dicarboxylic acid dihexadecan-6-yl ester
IUPAC Name:dihexadecan-6-yl benzene-1,4-dicarboxylate
Traditional Name:benzene-1,4-dicarboxylic acid bis(1-amylundecyl) ester
Formula: C40H70O4
MolecularWeight: 614.9814
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCC)OC(=O)C1=CC=C(C=C1)C(=O)OC(CCCCC)CCCCCCCCCC


Isomeric SMILES

CCCCCCCCCCC(CCCCC)OC(=O)C1=CC=C(C=C1)C(=O)OC(CCCCC)CCCCCCCCCC


InChI

InChI=1S/C40H70O4/c1-5-9-13-15-17-19-21-25-29-37(27-23-11-7-3)43-39(41)35-31-33-36(34-32-35)40(42)44-38(28-24-12-8-4)30-26-22-20-18-16-14-10-6-2/h31-34,37-38H,5-30H2,1-4H3


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