(6E)-4-[(4-chloranyl-6-phenylazanyl-1,3,5-triazin-2-yl)amino]-5-oxidanylidene-6-[[1-oxidanyl-4-sulfo-8-(trioxidanylsulfanyl)naphthalen-2-yl]hydrazinylidene]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid

Systemtic Name: (6E)-4-[(4-chloranyl-6-phenylazanyl-1,3,5-triazin-2-yl)amino]-5-oxidanylidene-6-[[1-oxidanyl-4-sulfo-8-(trioxidanylsulfanyl)naphthalen-2-yl]hydrazinylidene]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Openeye Name: (6E)-4-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-6-[[1-hydroxy-4-sulfo-8-(trioxidanylsulfanyl)-2-naphthyl]hydrazono]-5-oxo-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid CAS Name: (6E)-4-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-6-[[1-hydroxy-4-sulfo-8-(trioxidanylthio)-2-naphthalenyl]hydrazinylidene]-5-oxo-7-(trioxidanylthio)-2-naphthalenesulfonic acid IUPAC Name: (6E)-4-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-6-[[1-hydroxy-4-sulfo-8-(trioxidanylsulfanyl)naphthalen-2-yl]hydrazinylidene]-5-oxo-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Traditional Name: (6E)-4-[(4-anilino-6-chloro-s-triazin-2-yl)amino]-6-[[1-hydroxy-4-sulfo-8-(trioxidanylthio)-2-naphthyl]hydrazono]-5-keto-7-(trioxidanylthio)naphthalene-2-sulfonic acid Formula: C29H20ClN7O14S4 MolecularWeight: 854.2206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C(=NNC5=CC(=C6C=CC=C(C6=C5O)SOOO)S(=O)(=O)O)C4=O)SOOO

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(/C(=N/NC5=CC(=C6C=CC=C(C6=C5O)SOOO)S(=O)(=O)O)/C4=O)SOOO

InChI

InChI=1S/C29H20ClN7O14S4/c30-27-33-28(31-14-5-2-1-3-6-14)35-29(34-27)32-17-11-15(54(42,43)44)9-13-10-20(53-51-49-41)24(26(39)22(13)17)37-36-18-12-21(55(45,46)47)16-7-4-8-19(52-50-48-40)23(16)25(18)38/h1-12,36,38,40-41H,(H,42,43,44)(H,45,46,47)(H2,31,32,33,34,35)/b37-24-