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

Systemtic Name: 2-(ethylamino)-5-[[2-methoxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]benzenesulfonic acid Openeye Name: 2-(ethylamino)-5-[2-methoxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]azo-benzenesulfonic acid CAS Name: 2-(ethylamino)-5-[2-methoxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]azobenzenesulfonic acid IUPAC Name: 2-(ethylamino)-5-[[2-methoxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]benzenesulfonic acid Traditional Name: 2-(ethylamino)-5-[2-methoxy-5-methyl-4-(2-sulfoxyethylsulfonyl)phenyl]azo-besylic acid Formula: C18H23N3O10S3 MolecularWeight: 537.58432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O10S3/c1-4-19-14-6-5-13(10-18(14)33(24,25)26)20-21-15-9-12(2)17(11-16(15)30-3)32(22,23)8-7-31-34(27,28)29/h5-6,9-11,19H,4,7-8H2,1-3H3,(H,24,25,26)(H,27,28,29)