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

Systemtic Name: 4-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]benzenesulfonic acid Openeye Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]azobenzenesulfonic acid CAS Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]azobenzenesulfonic acid IUPAC Name: 4-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]benzenesulfonic acid Traditional Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]azobesylic acid Formula: C16H17Cl2N3O3S MolecularWeight: 402.29548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17Cl2N3O3S/c17-9-11-21(12-10-18)15-5-1-13(2-6-15)19-20-14-3-7-16(8-4-14)25(22,23)24/h1-8H,9-12H2,(H,22,23,24)