3-azanyl-6-(4-bromophenyl)-4-sulfanyl-hexane-1-sulfonic acid

Systemtic Name: 3-azanyl-6-(4-bromophenyl)-4-sulfanyl-hexane-1-sulfonic acid Openeye Name: 3-amino-6-(4-bromophenyl)-4-sulfanyl-hexane-1-sulfonic acid CAS Name: 3-amino-6-(4-bromophenyl)-4-mercapto-1-hexanesulfonic acid IUPAC Name: 3-amino-6-(4-bromophenyl)-4-sulfanylhexane-1-sulfonic acid Traditional Name: 3-amino-6-(4-bromophenyl)-4-mercapto-hexane-1-sulfonic acid Formula: C12H18BrNO3S2 MolecularWeight: 368.31022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(C(CCS(=O)(=O)O)N)S)Br

Isomeric SMILES

C1=CC(=CC=C1CCC(C(CCS(=O)(=O)O)N)S)Br

InChI

InChI=1S/C12H18BrNO3S2/c13-10-4-1-9(2-5-10)3-6-12(18)11(14)7-8-19(15,16)17/h1-2,4-5,11-12,18H,3,6-8,14H2,(H,15,16,17)