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15-oxidanylidene-15-[[2-(4-sulfobutoxy)phenyl]amino]pentadecanoic acid
15-oxidanylidene-15-[[2-(4-sulfobutoxy)phenyl]amino]pentadecanoic acid
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Descriptors Computed from Structure
Canonical SMILES:
C1=CC=C(C(=C1)NC(=O)CCCCCCCCCCCCCC(=O)O)OCCCCS(=O)(=O)O
Isomeric SMILES
C1=CC=C(C(=C1)NC(=O)CCCCCCCCCCCCCC(=O)O)OCCCCS(=O)(=O)O
InChI
InChI=1S/C25H41NO7S/c27-24(18-10-8-6-4-2-1-3-5-7-9-11-19-25(28)29)26-22-16-12-13-17-23(22)33-20-14-15-21-34(30,31)32/h12-13,16-17H,1-11,14-15,18-21H2,(H,26,27)(H,28,29)(H,30,31,32)
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