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

Systemtic Name: 5-[[2-carboxy-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-2-(ethylamino)benzoic acid Openeye Name: 5-[2-carboxy-5-(2-sulfooxyethylsulfonyl)phenyl]azo-2-(ethylamino)benzoic acid CAS Name: 5-[2-carboxy-5-(2-sulfooxyethylsulfonyl)phenyl]azo-2-(ethylamino)benzoic acid IUPAC Name: 5-[[2-carboxy-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-2-(ethylamino)benzoic acid Traditional Name: 5-[2-carboxy-5-(2-sulfoxyethylsulfonyl)phenyl]azo-2-(ethylamino)benzoic acid Formula: C18H19N3O10S2 MolecularWeight: 501.48756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O10S2/c1-2-19-15-6-3-11(9-14(15)18(24)25)20-21-16-10-12(4-5-13(16)17(22)23)32(26,27)8-7-31-33(28,29)30/h3-6,9-10,19H,2,7-8H2,1H3,(H,22,23)(H,24,25)(H,28,29,30)