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4-dodecoxycarbonylbenzene-1,3-dicarboxylic acid

4-dodecoxycarbonylbenzene-1,3-dicarboxylic acid

Systemtic Name:4-dodecoxycarbonylbenzene-1,3-dicarboxylic acid
Openeye Name:4-dodecoxycarbonylbenzene-1,3-dicarboxylic acid
CAS Name:4-[dodecoxy(oxo)methyl]benzene-1,3-dicarboxylic acid
IUPAC Name:4-dodecoxycarbonylbenzene-1,3-dicarboxylic acid
Traditional Name:4-lauryloxycarbonylisophthalic acid
Formula: C21H30O6
MolecularWeight: 378.4593
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=C(C=C(C=C1)C(=O)O)C(=O)O


Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=C(C=C(C=C1)C(=O)O)C(=O)O


InChI

InChI=1S/C21H30O6/c1-2-3-4-5-6-7-8-9-10-11-14-27-21(26)17-13-12-16(19(22)23)15-18(17)20(24)25/h12-13,15H,2-11,14H2,1H3,(H,22,23)(H,24,25)


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