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

Systemtic Name: 2-(ethylamino)-5-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]benzoic acid Openeye Name: 2-(ethylamino)-5-[4-(2-sulfooxyethylsulfonyl)phenyl]azo-benzoic acid CAS Name: 2-(ethylamino)-5-[4-(2-sulfooxyethylsulfonyl)phenyl]azobenzoic acid IUPAC Name: 2-(ethylamino)-5-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]benzoic acid Traditional Name: 2-(ethylamino)-5-[4-(2-sulfoxyethylsulfonyl)phenyl]azo-benzoic acid Formula: C17H19N3O8S2 MolecularWeight: 457.47806

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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)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O8S2/c1-2-18-16-8-5-13(11-15(16)17(21)22)20-19-12-3-6-14(7-4-12)29(23,24)10-9-28-30(25,26)27/h3-8,11,18H,2,9-10H2,1H3,(H,21,22)(H,25,26,27)