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2-[3-[4-[heptyl(hexylcarbamoyl)amino]phenyl]sulfanylphenyl]ethanoic acid
2-[3-[4-[heptyl(hexylcarbamoyl)amino]phenyl]sulfanylphenyl]ethanoic acid
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Descriptors Computed from Structure
Canonical SMILES:
CCCCCCCN(C1=CC=C(C=C1)SC2=CC=CC(=C2)CC(=O)O)C(=O)NCCCCCC
Isomeric SMILES
CCCCCCCN(C1=CC=C(C=C1)SC2=CC=CC(=C2)CC(=O)O)C(=O)NCCCCCC
InChI
InChI=1S/C28H40N2O3S/c1-3-5-7-9-11-20-30(28(33)29-19-10-8-6-4-2)24-15-17-25(18-16-24)34-26-14-12-13-23(21-26)22-27(31)32/h12-18,21H,3-11,19-20,22H2,1-2H3,(H,29,33)(H,31,32)
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