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2-(hexadecylamino)-5-(2-oxidanylpropoxycarbonyl)benzoic acid

2-(hexadecylamino)-5-(2-oxidanylpropoxycarbonyl)benzoic acid

Systemtic Name:2-(hexadecylamino)-5-(2-oxidanylpropoxycarbonyl)benzoic acid
Openeye Name:2-(hexadecylamino)-5-(2-hydroxypropoxycarbonyl)benzoic acid
CAS Name:2-(hexadecylamino)-5-[2-hydroxypropoxy(oxo)methyl]benzoic acid
IUPAC Name:2-(hexadecylamino)-5-(2-hydroxypropoxycarbonyl)benzoic acid
Traditional Name:2-(cetylamino)-5-(2-hydroxypropoxycarbonyl)benzoic acid
Formula: C27H45NO5
MolecularWeight: 463.6499
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C(C=C(C=C1)C(=O)OCC(C)O)C(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C(C=C(C=C1)C(=O)OCC(C)O)C(=O)O


InChI

InChI=1S/C27H45NO5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-25-18-17-23(20-24(25)26(30)31)27(32)33-21-22(2)29/h17-18,20,22,28-29H,3-16,19,21H2,1-2H3,(H,30,31)


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