methyl 6-azanyl-5-[[4-(2-methoxysulfonyloxyethylsulfonyl)phenyl]diazenyl]naphthalene-1-sulfonate

Systemtic Name: methyl 6-azanyl-5-[[4-(2-methoxysulfonyloxyethylsulfonyl)phenyl]diazenyl]naphthalene-1-sulfonate Openeye Name: methyl 6-amino-5-[4-(2-methoxysulfonyloxyethylsulfonyl)phenyl]azo-naphthalene-1-sulfonate CAS Name: 6-amino-5-[4-(2-methoxysulfonyloxyethylsulfonyl)phenyl]azo-1-naphthalenesulfonic acid methyl ester IUPAC Name: methyl 6-amino-5-[[4-(2-methoxysulfonyloxyethylsulfonyl)phenyl]diazenyl]naphthalene-1-sulfonate Traditional Name: 6-amino-5-[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=CC2=C1C=CC(=C2N=NC3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)OC)N

Isomeric SMILES

COS(=O)(=O)C1=CC=CC2=C1C=CC(=C2N=NC3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)OC)N

InChI

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