2-(ethylamino)-5-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]benzenesulfonic acid

Systemtic Name: 2-(ethylamino)-5-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]benzenesulfonic acid Openeye Name: 2-(ethylamino)-5-[4-(2-sulfooxyethylsulfonyl)phenyl]azo-benzenesulfonic acid CAS Name: 2-(ethylamino)-5-[4-(2-sulfooxyethylsulfonyl)phenyl]azobenzenesulfonic acid IUPAC Name: 2-(ethylamino)-5-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]benzenesulfonic acid Traditional Name: 2-(ethylamino)-5-[4-(2-sulfoxyethylsulfonyl)phenyl]azo-besylic acid Formula: C16H19N3O9S3 MolecularWeight: 493.53176

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCNC1=C(C=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C16H19N3O9S3/c1-2-17-15-8-5-13(11-16(15)30(22,23)24)19-18-12-3-6-14(7-4-12)29(20,21)10-9-28-31(25,26)27/h3-8,11,17H,2,9-10H2,1H3,(H,22,23,24)(H,25,26,27)