(6E)-4-[(4-chloranyl-6-ethoxy-1,3,5-triazin-2-yl)amino]-5-oxidanylidene-6-[(2-sulfophenyl)hydrazinylidene]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid

Systemtic Name: (6E)-4-[(4-chloranyl-6-ethoxy-1,3,5-triazin-2-yl)amino]-5-oxidanylidene-6-[(2-sulfophenyl)hydrazinylidene]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Openeye Name: (6E)-4-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-5-oxo-6-[(2-sulfophenyl)hydrazono]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid CAS Name: (6E)-4-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-5-oxo-6-[(2-sulfophenyl)hydrazinylidene]-7-(trioxidanylthio)-2-naphthalenesulfonic acid IUPAC Name: (6E)-4-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-5-oxo-6-[(2-sulfophenyl)hydrazinylidene]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Traditional Name: (6E)-4-[(4-chloro-6-ethoxy-s-triazin-2-yl)amino]-5-keto-6-[(2-sulfophenyl)hydrazono]-7-(trioxidanylthio)naphthalene-2-sulfonic acid Formula: C21H17ClN6O11S3 MolecularWeight: 661.04128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC(=N1)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C(=NNC4=CC=CC=C4S(=O)(=O)O)C3=O)SOOO)Cl

Isomeric SMILES

CCOC1=NC(=NC(=N1)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(/C(=N/NC4=CC=CC=C4S(=O)(=O)O)/C3=O)SOOO)Cl

InChI

InChI=1S/C21H17ClN6O11S3/c1-2-37-21-25-19(22)24-20(26-21)23-13-9-11(41(31,32)33)7-10-8-14(40-39-38-30)17(18(29)16(10)13)28-27-12-5-3-4-6-15(12)42(34,35)36/h3-9,27,30H,2H2,1H3,(H,31,32,33)(H,34,35,36)(H,23,24,25,26)/b28-17-