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2,3-bis(oxidanyl)propyl 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoate

2,3-bis(oxidanyl)propyl 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoate

Systemtic Name:2,3-bis(oxidanyl)propyl 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoate
Openeye Name:2,3-dihydroxypropyl 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoate
CAS Name:4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoic acid 2,3-dihydroxypropyl ester
IUPAC Name:2,3-dihydroxypropyl 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoate
Traditional Name:4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoic acid glyceryl ester
Formula: C29H38ClNO4
MolecularWeight: 500.06932
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CCCCCCCCCCCCNC2=CC=C(C=C2)C(=O)OCC(CO)O)Cl


Isomeric SMILES

C1=CC(=CC=C1C#CCCCCCCCCCCCNC2=CC=C(C=C2)C(=O)OCC(CO)O)Cl


InChI

InChI=1S/C29H38ClNO4/c30-26-17-13-24(14-18-26)12-10-8-6-4-2-1-3-5-7-9-11-21-31-27-19-15-25(16-20-27)29(34)35-23-28(33)22-32/h13-20,28,31-33H,1-9,11,21-23H2


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