3-(dimethylamino)-2-[[2-methoxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]benzoic acid

Systemtic Name: 3-(dimethylamino)-2-[[2-methoxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]benzoic acid Openeye Name: 3-(dimethylamino)-2-[2-methoxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]azo-benzoic acid CAS Name: 3-(dimethylamino)-2-[2-methoxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]azobenzoic acid IUPAC Name: 3-(dimethylamino)-2-[[2-methoxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]benzoic acid Traditional Name: 3-(dimethylamino)-2-[2-methoxy-5-methyl-4-(2-sulfoxyethylsulfonyl)phenyl]azo-benzoic acid Formula: C19H23N3O9S2 MolecularWeight: 501.53062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)CCOS(=O)(=O)O)OC)N=NC2=C(C=CC=C2N(C)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)CCOS(=O)(=O)O)OC)N=NC2=C(C=CC=C2N(C)C)C(=O)O

InChI

InChI=1S/C19H23N3O9S2/c1-12-10-14(20-21-18-13(19(23)24)6-5-7-15(18)22(2)3)16(30-4)11-17(12)32(25,26)9-8-31-33(27,28)29/h5-7,10-11H,8-9H2,1-4H3,(H,23,24)(H,27,28,29)