4-[(3-chloranylsulfonylphenyl)diazenyl]-1-ethoxy-5-(methylsulfonylamino)naphthalene-2-carboxylic acid

Systemtic Name: 4-[(3-chloranylsulfonylphenyl)diazenyl]-1-ethoxy-5-(methylsulfonylamino)naphthalene-2-carboxylic acid Openeye Name: 4-(3-chlorosulfonylphenyl)azo-1-ethoxy-5-(methanesulfonamido)naphthalene-2-carboxylic acid CAS Name: 4-(3-chlorosulfonylphenyl)azo-1-ethoxy-5-(methanesulfonamido)-2-naphthalenecarboxylic acid IUPAC Name: 4-[(3-chlorosulfonylphenyl)diazenyl]-1-ethoxy-5-(methanesulfonamido)naphthalene-2-carboxylic acid Traditional Name: 4-(3-chlorosulfonylphenyl)azo-1-ethoxy-5-(methanesulfonamido)-2-naphthoic acid Formula: C20H18ClN3O7S2 MolecularWeight: 511.95582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C=CC=C(C2=C(C=C1C(=O)O)N=NC3=CC(=CC=C3)S(=O)(=O)Cl)NS(=O)(=O)C

Isomeric SMILES

CCOC1=C2C=CC=C(C2=C(C=C1C(=O)O)N=NC3=CC(=CC=C3)S(=O)(=O)Cl)NS(=O)(=O)C

InChI

InChI=1S/C20H18ClN3O7S2/c1-3-31-19-14-8-5-9-16(24-32(2,27)28)18(14)17(11-15(19)20(25)26)23-22-12-6-4-7-13(10-12)33(21,29)30/h4-11,24H,3H2,1-2H3,(H,25,26)