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

Systemtic Name: 2-[4-[[4-[ethyl(2-sulfooxyethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl hydrogen sulfate Openeye Name: 2-[4-[4-[ethyl(2-sulfooxyethyl)amino]phenyl]azophenyl]sulfonylethyl hydrogen sulfate CAS Name: sulfuric acid 2-[4-[4-[ethyl(2-sulfooxyethyl)amino]phenyl]azophenyl]sulfonylethyl ester IUPAC Name: 2-[4-[[4-[ethyl(2-sulfooxyethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl hydrogen sulfate Traditional Name: sulfuric acid 2-[4-[4-[ethyl(2-sulfoxyethyl)amino]phenyl]azophenyl]sulfonylethyl ester Formula: C18H23N3O10S3 MolecularWeight: 537.58432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O10S3/c1-2-21(11-12-30-33(24,25)26)17-7-3-15(4-8-17)19-20-16-5-9-18(10-6-16)32(22,23)14-13-31-34(27,28)29/h3-10H,2,11-14H2,1H3,(H,24,25,26)(H,27,28,29)