methyl 4-azanyl-3-[[4-(2-methoxysulfonyloxyethylsulfonyl)phenyl]diazenyl]naphthalene-1-sulfonate

Systemtic Name: methyl 4-azanyl-3-[[4-(2-methoxysulfonyloxyethylsulfonyl)phenyl]diazenyl]naphthalene-1-sulfonate Openeye Name: methyl 4-amino-3-[4-(2-methoxysulfonyloxyethylsulfonyl)phenyl]azo-naphthalene-1-sulfonate CAS Name: 4-amino-3-[4-(2-methoxysulfonyloxyethylsulfonyl)phenyl]azo-1-naphthalenesulfonic acid methyl ester IUPAC Name: methyl 4-amino-3-[[4-(2-methoxysulfonyloxyethylsulfonyl)phenyl]diazenyl]naphthalene-1-sulfonate Traditional Name: 4-amino-3-[4-(2-methoxysulfonyloxyethylsulfonyl)phenyl]azo-naphthalene-1-sulfonic acid methyl ester Formula: C20H21N3O9S3 MolecularWeight: 543.59044

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)C1=CC(=C(C2=CC=CC=C21)N)N=NC3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)OC

Isomeric SMILES

COS(=O)(=O)C1=CC(=C(C2=CC=CC=C21)N)N=NC3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)OC

InChI

InChI=1S/C20H21N3O9S3/c1-30-34(26,27)19-13-18(20(21)17-6-4-3-5-16(17)19)23-22-14-7-9-15(10-8-14)33(24,25)12-11-32-35(28,29)31-2/h3-10,13H,11-12,21H2,1-2H3