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4-[(3,4,5-tridodecoxyphenyl)carbonylamino]benzoic acid

4-[(3,4,5-tridodecoxyphenyl)carbonylamino]benzoic acid

Systemtic Name:4-[(3,4,5-tridodecoxyphenyl)carbonylamino]benzoic acid
Openeye Name:4-[(3,4,5-tridodecoxybenzoyl)amino]benzoic acid
CAS Name:4-[[oxo-(3,4,5-tridodecoxyphenyl)methyl]amino]benzoic acid
IUPAC Name:4-[(3,4,5-tridodecoxybenzoyl)amino]benzoic acid
Traditional Name:4-[(3,4,5-trilauryloxybenzoyl)amino]benzoic acid
Formula: C50H83NO6
MolecularWeight: 794.19712
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCC)OCCCCCCCCCCCC)C(=O)NC2=CC=C(C=C2)C(=O)O


Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCC)OCCCCCCCCCCCC)C(=O)NC2=CC=C(C=C2)C(=O)O


InChI

InChI=1S/C50H83NO6/c1-4-7-10-13-16-19-22-25-28-31-38-55-46-41-44(49(52)51-45-36-34-43(35-37-45)50(53)54)42-47(56-39-32-29-26-23-20-17-14-11-8-5-2)48(46)57-40-33-30-27-24-21-18-15-12-9-6-3/h34-37,41-42H,4-33,38-40H2,1-3H3,(H,51,52)(H,53,54)


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