sodium 2-[4-[(2-chloranyl-4-propyl-phenyl)diazenyl]phenyl]sulfonylethyl sulfate

Systemtic Name: sodium 2-[4-[(2-chloranyl-4-propyl-phenyl)diazenyl]phenyl]sulfonylethyl sulfate Openeye Name: sodium 2-[4-(2-chloro-4-propyl-phenyl)azophenyl]sulfonylethyl sulfate CAS Name: sodium 2-[4-(2-chloro-4-propylphenyl)azophenyl]sulfonylethyl sulfate IUPAC Name: sodium 2-[4-[(2-chloro-4-propylphenyl)diazenyl]phenyl]sulfonylethyl sulfate Traditional Name: sodium 2-[4-(2-chloro-4-propyl-phenyl)azophenyl]sulfonylethyl sulfate Formula: C17H18ClN2NaO6S2 MolecularWeight: 468.90739

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)CCOS(=O)(=O)[O-])Cl.[Na+]

Isomeric SMILES

CCCC1=CC(=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)CCOS(=O)(=O)[O-])Cl.[Na+]

InChI

InChI=1S/C17H19ClN2O6S2.Na/c1-2-3-13-4-9-17(16(18)12-13)20-19-14-5-7-15(8-6-14)27(21,22)11-10-26-28(23,24)25;/h4-9,12H,2-3,10-11H2,1H3,(H,23,24,25);/q;+1/p-1