2-(ethylamino)-5-[[3-sulfo-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]benzenesulfonic acid

Systemtic Name: 2-(ethylamino)-5-[[3-sulfo-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]benzenesulfonic acid Openeye Name: 2-(ethylamino)-5-[3-sulfo-5-(2-sulfooxyethylsulfonyl)phenyl]azo-benzenesulfonic acid CAS Name: 2-(ethylamino)-5-[3-sulfo-5-(2-sulfooxyethylsulfonyl)phenyl]azobenzenesulfonic acid IUPAC Name: 2-(ethylamino)-5-[[3-sulfo-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]benzenesulfonic acid Traditional Name: 2-(ethylamino)-5-[3-sulfo-5-(2-sulfoxyethylsulfonyl)phenyl]azo-besylic acid Formula: C16H19N3O12S4 MolecularWeight: 573.59496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O12S4/c1-2-17-15-4-3-11(9-16(15)34(25,26)27)18-19-12-7-13(10-14(8-12)33(22,23)24)32(20,21)6-5-31-35(28,29)30/h3-4,7-10,17H,2,5-6H2,1H3,(H,22,23,24)(H,25,26,27)(H,28,29,30)