4-[[4-[bis(2-hydroxyethyl)amino]-2-fluoranyl-phenyl]diazenyl]benzenesulfonic acid

Systemtic Name: 4-[[4-[bis(2-hydroxyethyl)amino]-2-fluoranyl-phenyl]diazenyl]benzenesulfonic acid Openeye Name: 4-[4-[bis(2-hydroxyethyl)amino]-2-fluoro-phenyl]azobenzenesulfonic acid CAS Name: 4-[4-[bis(2-hydroxyethyl)amino]-2-fluorophenyl]azobenzenesulfonic acid IUPAC Name: 4-[[4-[bis(2-hydroxyethyl)amino]-2-fluorophenyl]diazenyl]benzenesulfonic acid Traditional Name: 4-[4-[bis(2-hydroxyethyl)amino]-2-fluoro-phenyl]azobesylic acid Formula: C16H18FN3O5S MolecularWeight: 383.394623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=NC2=C(C=C(C=C2)N(CCO)CCO)F)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1N=NC2=C(C=C(C=C2)N(CCO)CCO)F)S(=O)(=O)O

InChI

InChI=1S/C16H18FN3O5S/c17-15-11-13(20(7-9-21)8-10-22)3-6-16(15)19-18-12-1-4-14(5-2-12)26(23,24)25/h1-6,11,21-22H,7-10H2,(H,23,24,25)