6-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]naphthalene-2-sulfonic acid

Systemtic Name: 6-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]naphthalene-2-sulfonic acid Openeye Name: 6-[4-[bis(2-chloroethyl)amino]phenyl]azonaphthalene-2-sulfonic acid CAS Name: 6-[4-[bis(2-chloroethyl)amino]phenyl]azo-2-naphthalenesulfonic acid IUPAC Name: 6-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]naphthalene-2-sulfonic acid Traditional Name: 6-[4-[bis(2-chloroethyl)amino]phenyl]azonaphthalene-2-sulfonic acid Formula: C20H19Cl2N3O3S MolecularWeight: 452.35416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=NC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)O)N(CCCl)CCCl

Isomeric SMILES

C1=CC(=CC=C1N=NC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)O)N(CCCl)CCCl

InChI

InChI=1S/C20H19Cl2N3O3S/c21-9-11-25(12-10-22)19-6-4-17(5-7-19)23-24-18-3-1-16-14-20(29(26,27)28)8-2-15(16)13-18/h1-8,13-14H,9-12H2,(H,26,27,28)