2-[4-[[4-[bis(2-sulfooxyethyl)amino]-2-chloranyl-phenyl]diazenyl]phenyl]sulfonylethyl hydrogen sulfate

Systemtic Name: 2-[4-[[4-[bis(2-sulfooxyethyl)amino]-2-chloranyl-phenyl]diazenyl]phenyl]sulfonylethyl hydrogen sulfate Openeye Name: 2-[4-[4-[bis(2-sulfooxyethyl)amino]-2-chloro-phenyl]azophenyl]sulfonylethyl hydrogen sulfate CAS Name: sulfuric acid 2-[4-[4-[bis(2-sulfooxyethyl)amino]-2-chlorophenyl]azophenyl]sulfonylethyl ester IUPAC Name: 2-[4-[[4-[bis(2-sulfooxyethyl)amino]-2-chlorophenyl]diazenyl]phenyl]sulfonylethyl hydrogen sulfate Traditional Name: sulfuric acid 2-[4-[4-[bis(2-sulfoxyethyl)amino]-2-chloro-phenyl]azophenyl]sulfonylethyl ester Formula: C18H22ClN3O14S4 MolecularWeight: 668.09198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN3O14S4/c19-17-13-15(22(7-9-34-38(25,26)27)8-10-35-39(28,29)30)3-6-18(17)21-20-14-1-4-16(5-2-14)37(23,24)12-11-36-40(31,32)33/h1-6,13H,7-12H2,(H,25,26,27)(H,28,29,30)(H,31,32,33)