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4-[methyl-(phenylmethyl)-(9-phenylnonyl)azaniumyl]butane-1-sulfonate
4-[methyl-(phenylmethyl)-(9-phenylnonyl)azaniumyl]butane-1-sulfonate
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Descriptors Computed from Structure
Canonical SMILES:
C[N+](CCCCCCCCCC1=CC=CC=C1)(CCCCS(=O)(=O)[O-])CC2=CC=CC=C2
Isomeric SMILES
C[N+](CCCCCCCCCC1=CC=CC=C1)(CCCCS(=O)(=O)[O-])CC2=CC=CC=C2
InChI
InChI=1S/C27H41NO3S/c1-28(23-15-16-24-32(29,30)31,25-27-20-12-8-13-21-27)22-14-6-4-2-3-5-9-17-26-18-10-7-11-19-26/h7-8,10-13,18-21H,2-6,9,14-17,22-25H2,1H3
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