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4-[[(E)-12-thiophen-2-yldodec-11-enyl]amino]benzoic acid

4-[[(E)-12-thiophen-2-yldodec-11-enyl]amino]benzoic acid

Systemtic Name:4-[[(E)-12-thiophen-2-yldodec-11-enyl]amino]benzoic acid
Openeye Name:4-[[(E)-12-(2-thienyl)dodec-11-enyl]amino]benzoic acid
CAS Name:4-[[(E)-12-thiophen-2-yldodec-11-enyl]amino]benzoic acid
IUPAC Name:4-[[(E)-12-thiophen-2-yldodec-11-enyl]amino]benzoic acid
Traditional Name:4-[[(E)-12-(2-thienyl)dodec-11-enyl]amino]benzoic acid
Formula: C23H31NO2S
MolecularWeight: 385.56274
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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C=CCCCCCCCCCCNC2=CC=C(C=C2)C(=O)O


Isomeric SMILES

C1=CSC(=C1)/C=C/CCCCCCCCCCNC2=CC=C(C=C2)C(=O)O


InChI

InChI=1S/C23H31NO2S/c25-23(26)20-14-16-21(17-15-20)24-18-10-8-6-4-2-1-3-5-7-9-12-22-13-11-19-27-22/h9,11-17,19,24H,1-8,10,18H2,(H,25,26)/b12-9+


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