3-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]naphthalene-1,5-disulfonic acid

Systemtic Name: 3-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]naphthalene-1,5-disulfonic acid Openeye Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]azonaphthalene-1,5-disulfonic acid CAS Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]azonaphthalene-1,5-disulfonic acid IUPAC Name: 3-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]naphthalene-1,5-disulfonic acid Traditional Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]azonaphthalene-1,5-disulfonic acid Formula: C20H19Cl2N3O6S2 MolecularWeight: 532.41736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2C(=C1)S(=O)(=O)O)N=NC3=CC=C(C=C3)N(CCCl)CCCl)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C(C=C2C(=C1)S(=O)(=O)O)N=NC3=CC=C(C=C3)N(CCCl)CCCl)S(=O)(=O)O

InChI

InChI=1S/C20H19Cl2N3O6S2/c21-8-10-25(11-9-22)16-6-4-14(5-7-16)23-24-15-12-18-17(20(13-15)33(29,30)31)2-1-3-19(18)32(26,27)28/h1-7,12-13H,8-11H2,(H,26,27,28)(H,29,30,31)