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2-[[2-[(2-carboxyphenyl)amino]-4-propylsulfanyl-phenyl]amino]benzoic acid
2-[[2-[(2-carboxyphenyl)amino]-4-propylsulfanyl-phenyl]amino]benzoic acid
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Descriptors Computed from Structure
Canonical SMILES:
CCCSC1=CC(=C(C=C1)NC2=CC=CC=C2C(=O)O)NC3=CC=CC=C3C(=O)O
Isomeric SMILES
CCCSC1=CC(=C(C=C1)NC2=CC=CC=C2C(=O)O)NC3=CC=CC=C3C(=O)O
InChI
InChI=1S/C23H22N2O4S/c1-2-13-30-15-11-12-20(24-18-9-5-3-7-16(18)22(26)27)21(14-15)25-19-10-6-4-8-17(19)23(28)29/h3-12,14,24-25H,2,13H2,1H3,(H,26,27)(H,28,29)
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