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5-chloranyl-2-[[(E)-docos-13-enoyl]amino]benzoic acid

5-chloranyl-2-[[(E)-docos-13-enoyl]amino]benzoic acid

Systemtic Name:5-chloranyl-2-[[(E)-docos-13-enoyl]amino]benzoic acid
Openeye Name:5-chloro-2-[[(E)-docos-13-enoyl]amino]benzoic acid
CAS Name:5-chloro-2-[[(E)-1-oxodocos-13-enyl]amino]benzoic acid
IUPAC Name:5-chloro-2-[[(E)-docos-13-enoyl]amino]benzoic acid
Traditional Name:5-chloro-2-[[(E)-docos-13-enoyl]amino]benzoic acid
Formula: C29H46ClNO3
MolecularWeight: 492.13344
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCC(=O)NC1=C(C=C(C=C1)Cl)C(=O)O


Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCCC(=O)NC1=C(C=C(C=C1)Cl)C(=O)O


InChI

InChI=1S/C29H46ClNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28(32)31-27-23-22-25(30)24-26(27)29(33)34/h9-10,22-24H,2-8,11-21H2,1H3,(H,31,32)(H,33,34)/b10-9+


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