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

Systemtic Name: 2-[4-[[4-[bis(2-sulfooxyethyl)amino]-2-methyl-phenyl]diazenyl]phenyl]sulfonylethyl hydrogen sulfate Openeye Name: 2-[4-[4-[bis(2-sulfooxyethyl)amino]-2-methyl-phenyl]azophenyl]sulfonylethyl hydrogen sulfate CAS Name: sulfuric acid 2-[4-[4-[bis(2-sulfooxyethyl)amino]-2-methylphenyl]azophenyl]sulfonylethyl ester IUPAC Name: 2-[4-[[4-[bis(2-sulfooxyethyl)amino]-2-methylphenyl]diazenyl]phenyl]sulfonylethyl hydrogen sulfate Traditional Name: sulfuric acid 2-[4-[4-[bis(2-sulfoxyethyl)amino]-2-methyl-phenyl]azophenyl]sulfonylethyl ester Formula: C19H25N3O14S4 MolecularWeight: 647.6735

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CCOS(=O)(=O)O)CCOS(=O)(=O)O)N=NC2=CC=C(C=C2)S(=O)(=O)CCOS(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCOS(=O)(=O)O)CCOS(=O)(=O)O)N=NC2=CC=C(C=C2)S(=O)(=O)CCOS(=O)(=O)O

InChI

InChI=1S/C19H25N3O14S4/c1-15-14-17(22(8-10-34-38(25,26)27)9-11-35-39(28,29)30)4-7-19(15)21-20-16-2-5-18(6-3-16)37(23,24)13-12-36-40(31,32)33/h2-7,14H,8-13H2,1H3,(H,25,26,27)(H,28,29,30)(H,31,32,33)