3-chloranyl-4-[[4-[ethyl-(phenylmethyl)amino]phenyl]diazenyl]benzenesulfonic acid

Systemtic Name: 3-chloranyl-4-[[4-[ethyl-(phenylmethyl)amino]phenyl]diazenyl]benzenesulfonic acid Openeye Name: 4-[4-[benzyl(ethyl)amino]phenyl]azo-3-chloro-benzenesulfonic acid CAS Name: 3-chloro-4-[4-[ethyl-(phenylmethyl)amino]phenyl]azobenzenesulfonic acid IUPAC Name: 4-[[4-[benzyl(ethyl)amino]phenyl]diazenyl]-3-chlorobenzenesulfonic acid Traditional Name: 4-[4-[benzyl(ethyl)amino]phenyl]azo-3-chloro-besylic acid Formula: C21H20ClN3O3S MolecularWeight: 429.9198

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3)S(=O)(=O)O)Cl

Isomeric SMILES

CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3)S(=O)(=O)O)Cl

InChI

InChI=1S/C21H20ClN3O3S/c1-2-25(15-16-6-4-3-5-7-16)18-10-8-17(9-11-18)23-24-21-13-12-19(14-20(21)22)29(26,27)28/h3-14H,2,15H2,1H3,(H,26,27,28)