(3E)-3-[[4-(2-chloroethylsulfonyl)-2-methoxy-phenyl]hydrazinylidene]-5-(methoxymethylideneamino)-4-oxidanylidene-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid

Systemtic Name: (3E)-3-[[4-(2-chloroethylsulfonyl)-2-methoxy-phenyl]hydrazinylidene]-5-(methoxymethylideneamino)-4-oxidanylidene-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Openeye Name: (3E)-3-[[4-(2-chloroethylsulfonyl)-2-methoxy-phenyl]hydrazono]-5-(methoxymethyleneamino)-4-oxo-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid CAS Name: (3E)-3-[[4-(2-chloroethylsulfonyl)-2-methoxyphenyl]hydrazinylidene]-5-(methoxymethylideneamino)-4-oxo-7-(trioxidanylthio)-2-naphthalenesulfonic acid IUPAC Name: (3E)-3-[[4-(2-chloroethylsulfonyl)-2-methoxyphenyl]hydrazinylidene]-5-(methoxymethylideneamino)-4-oxo-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Traditional Name: (3E)-3-[[4-(2-chloroethylsulfonyl)-2-methoxy-phenyl]hydrazono]-4-keto-5-(methoxymethyleneamino)-7-(trioxidanylthio)naphthalene-2-sulfonic acid Formula: C21H20ClN3O11S3 MolecularWeight: 622.045

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Descriptors Computed from Structure

Canonical SMILES:

COC=NC1=C2C(=CC(=C1)SOOO)C=C(C(=NNC3=C(C=C(C=C3)S(=O)(=O)CCCl)OC)C2=O)S(=O)(=O)O

Isomeric SMILES

COC=NC1=C2C(=CC(=C1)SOOO)C=C(/C(=N/NC3=C(C=C(C=C3)S(=O)(=O)CCCl)OC)/C2=O)S(=O)(=O)O

InChI

InChI=1S/C21H20ClN3O11S3/c1-33-11-23-16-9-13(37-36-35-27)7-12-8-18(39(30,31)32)20(21(26)19(12)16)25-24-15-4-3-14(10-17(15)34-2)38(28,29)6-5-22/h3-4,7-11,24,27H,5-6H2,1-2H3,(H,30,31,32)/b23-11?,25-20-