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

Systemtic Name: 5-[[2-methoxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-2-(methylamino)benzenesulfonic acid Openeye Name: 5-[2-methoxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]azo-2-(methylamino)benzenesulfonic acid CAS Name: 5-[2-methoxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]azo-2-(methylamino)benzenesulfonic acid IUPAC Name: 5-[[2-methoxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-2-(methylamino)benzenesulfonic acid Traditional Name: 5-[2-methoxy-5-methyl-4-(2-sulfoxyethylsulfonyl)phenyl]azo-2-(methylamino)besylic acid Formula: C17H21N3O10S3 MolecularWeight: 523.55774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)CCOS(=O)(=O)O)OC)N=NC2=CC(=C(C=C2)NC)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)CCOS(=O)(=O)O)OC)N=NC2=CC(=C(C=C2)NC)S(=O)(=O)O

InChI

InChI=1S/C17H21N3O10S3/c1-11-8-14(20-19-12-4-5-13(18-2)17(9-12)32(23,24)25)15(29-3)10-16(11)31(21,22)7-6-30-33(26,27)28/h4-5,8-10,18H,6-7H2,1-3H3,(H,23,24,25)(H,26,27,28)