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2-[4-[3-(diheptylamino)phenyl]sulfanylphenyl]ethanoic acid

2-[4-[3-(diheptylamino)phenyl]sulfanylphenyl]ethanoic acid

Systemtic Name:2-[4-[3-(diheptylamino)phenyl]sulfanylphenyl]ethanoic acid
Openeye Name:2-[4-[3-(diheptylamino)phenyl]sulfanylphenyl]acetic acid
CAS Name:2-[4-[[3-(diheptylamino)phenyl]thio]phenyl]acetic acid
IUPAC Name:2-[4-[3-(diheptylamino)phenyl]sulfanylphenyl]acetic acid
Traditional Name:2-[4-[[3-(diheptylamino)phenyl]thio]phenyl]acetic acid
Formula: C28H41NO2S
MolecularWeight: 455.69564
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCCCCCC)C1=CC(=CC=C1)SC2=CC=C(C=C2)CC(=O)O


Isomeric SMILES

CCCCCCCN(CCCCCCC)C1=CC(=CC=C1)SC2=CC=C(C=C2)CC(=O)O


InChI

InChI=1S/C28H41NO2S/c1-3-5-7-9-11-20-29(21-12-10-8-6-4-2)25-14-13-15-27(23-25)32-26-18-16-24(17-19-26)22-28(30)31/h13-19,23H,3-12,20-22H2,1-2H3,(H,30,31)


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