2-[[4-(ethylamino)-3-methyl-phenyl]diazenyl]-4-(2-sulfooxyethylsulfonyl)benzoic acid

Systemtic Name: 2-[[4-(ethylamino)-3-methyl-phenyl]diazenyl]-4-(2-sulfooxyethylsulfonyl)benzoic acid Openeye Name: 2-[4-(ethylamino)-3-methyl-phenyl]azo-4-(2-sulfooxyethylsulfonyl)benzoic acid CAS Name: 2-[4-(ethylamino)-3-methylphenyl]azo-4-(2-sulfooxyethylsulfonyl)benzoic acid IUPAC Name: 2-[[4-(ethylamino)-3-methylphenyl]diazenyl]-4-(2-sulfooxyethylsulfonyl)benzoic acid Traditional Name: 2-[4-(ethylamino)-3-methyl-phenyl]azo-4-(2-sulfoxyethylsulfonyl)benzoic acid Formula: C18H21N3O8S2 MolecularWeight: 471.50464

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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

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

InChI

InChI=1S/C18H21N3O8S2/c1-3-19-16-7-4-13(10-12(16)2)20-21-17-11-14(5-6-15(17)18(22)23)30(24,25)9-8-29-31(26,27)28/h4-7,10-11,19H,3,8-9H2,1-2H3,(H,22,23)(H,26,27,28)