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4,5,6-tris(propoxycarbonyl)benzene-1,2,3-tricarboxylic acid

4,5,6-tris(propoxycarbonyl)benzene-1,2,3-tricarboxylic acid

Systemtic Name:4,5,6-tris(propoxycarbonyl)benzene-1,2,3-tricarboxylic acid
Openeye Name:4,5,6-tris(propoxycarbonyl)benzene-1,2,3-tricarboxylic acid
CAS Name:4,5,6-tris[oxo(propoxy)methyl]benzene-1,2,3-tricarboxylic acid
IUPAC Name:4,5,6-tris(propoxycarbonyl)benzene-1,2,3-tricarboxylic acid
Traditional Name:4,5,6-tris(propoxycarbonyl)hemimellitic acid
Formula: C21H24O12
MolecularWeight: 468.40806
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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C(=C(C(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)OCCC)C(=O)OCCC


Isomeric SMILES

CCCOC(=O)C1=C(C(=C(C(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)OCCC)C(=O)OCCC


InChI

InChI=1S/C21H24O12/c1-4-7-31-19(28)13-11(17(24)25)10(16(22)23)12(18(26)27)14(20(29)32-8-5-2)15(13)21(30)33-9-6-3/h4-9H2,1-3H3,(H,22,23)(H,24,25)(H,26,27)


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