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5-(heptadecylamino)benzene-1,2,3-tricarboxylic acid

5-(heptadecylamino)benzene-1,2,3-tricarboxylic acid

Systemtic Name:5-(heptadecylamino)benzene-1,2,3-tricarboxylic acid
Openeye Name:5-(heptadecylamino)benzene-1,2,3-tricarboxylic acid
CAS Name:5-(heptadecylamino)benzene-1,2,3-tricarboxylic acid
IUPAC Name:5-(heptadecylamino)benzene-1,2,3-tricarboxylic acid
Traditional Name:5-(heptadecylamino)hemimellitic acid
Formula: C26H41NO6
MolecularWeight: 463.60684
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCNC1=CC(=C(C(=C1)C(=O)O)C(=O)O)C(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCNC1=CC(=C(C(=C1)C(=O)O)C(=O)O)C(=O)O


InChI

InChI=1S/C26H41NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27-20-18-21(24(28)29)23(26(32)33)22(19-20)25(30)31/h18-19,27H,2-17H2,1H3,(H,28,29)(H,30,31)(H,32,33)


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