2-azanyl-1-[1-(4-bromanylphenoxy)propoxy]ethanesulfonic acid

Systemtic Name: 2-azanyl-1-[1-(4-bromanylphenoxy)propoxy]ethanesulfonic acid Openeye Name: 2-amino-1-[1-(4-bromophenoxy)propoxy]ethanesulfonic acid CAS Name: 2-amino-1-[1-(4-bromophenoxy)propoxy]ethanesulfonic acid IUPAC Name: 2-amino-1-[1-(4-bromophenoxy)propoxy]ethanesulfonic acid Traditional Name: 2-amino-1-[1-(4-bromophenoxy)propoxy]ethanesulfonic acid Formula: C11H16BrNO5S MolecularWeight: 354.21744

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Descriptors Computed from Structure

Canonical SMILES:

CCC(OC1=CC=C(C=C1)Br)OC(CN)S(=O)(=O)O

Isomeric SMILES

CCC(OC1=CC=C(C=C1)Br)OC(CN)S(=O)(=O)O

InChI

InChI=1S/C11H16BrNO5S/c1-2-10(18-11(7-13)19(14,15)16)17-9-5-3-8(12)4-6-9/h3-6,10-11H,2,7,13H2,1H3,(H,14,15,16)