1-(5-azanyl-2-bromanyl-phenyl)butane-1-sulfonic acid

Systemtic Name: 1-(5-azanyl-2-bromanyl-phenyl)butane-1-sulfonic acid Openeye Name: 1-(5-amino-2-bromo-phenyl)butane-1-sulfonic acid CAS Name: 1-(5-amino-2-bromophenyl)-1-butanesulfonic acid IUPAC Name: 1-(5-amino-2-bromophenyl)butane-1-sulfonic acid Traditional Name: 1-(5-amino-2-bromo-phenyl)butane-1-sulfonic acid Formula: C10H14BrNO3S MolecularWeight: 308.19206

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(C=CC(=C1)N)Br)S(=O)(=O)O

Isomeric SMILES

CCCC(C1=C(C=CC(=C1)N)Br)S(=O)(=O)O

InChI

InChI=1S/C10H14BrNO3S/c1-2-3-10(16(13,14)15)8-6-7(12)4-5-9(8)11/h4-6,10H,2-3,12H2,1H3,(H,13,14,15)