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2-benzamido-3-[4-(2-dodecylsulfanylethoxy)phenyl]propanoic acid

2-benzamido-3-[4-(2-dodecylsulfanylethoxy)phenyl]propanoic acid

Systemtic Name:2-benzamido-3-[4-(2-dodecylsulfanylethoxy)phenyl]propanoic acid
Openeye Name:2-benzamido-3-[4-(2-dodecylsulfanylethoxy)phenyl]propanoic acid
CAS Name:2-benzamido-3-[4-[2-(dodecylthio)ethoxy]phenyl]propanoic acid
IUPAC Name:2-benzamido-3-[4-(2-dodecylsulfanylethoxy)phenyl]propanoic acid
Traditional Name:2-benzamido-3-[4-[2-(laurylthio)ethoxy]phenyl]propionic acid
Formula: C30H43NO4S
MolecularWeight: 513.73172
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCCOC1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=CC=CC=C2


Isomeric SMILES

CCCCCCCCCCCCSCCOC1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=CC=CC=C2


InChI

InChI=1S/C30H43NO4S/c1-2-3-4-5-6-7-8-9-10-14-22-36-23-21-35-27-19-17-25(18-20-27)24-28(30(33)34)31-29(32)26-15-12-11-13-16-26/h11-13,15-20,28H,2-10,14,21-24H2,1H3,(H,31,32)(H,33,34)


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