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4-(hexylamino)benzenesulfonic acid

4-(hexylamino)benzenesulfonic acid

Systemtic Name:4-(hexylamino)benzenesulfonic acid
Openeye Name:4-(hexylamino)benzenesulfonic acid
CAS Name:4-(hexylamino)benzenesulfonic acid
IUPAC Name:4-(hexylamino)benzenesulfonic acid
Traditional Name:4-(hexylamino)besylic acid
Formula: C12H19NO3S
MolecularWeight: 257.34916
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=CC=C(C=C1)S(=O)(=O)O


Isomeric SMILES

CCCCCCNC1=CC=C(C=C1)S(=O)(=O)O


InChI

InChI=1S/C12H19NO3S/c1-2-3-4-5-10-13-11-6-8-12(9-7-11)17(14,15)16/h6-9,13H,2-5,10H2,1H3,(H,14,15,16)


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