(3E)-5-[[4-chloranyl-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-4-oxidanylidene-3-[(1-sulfonatonaphthalen-2-yl)hydrazinylidene]naphthalene-2,7-disulfonate

Systemtic Name: (3E)-5-[[4-chloranyl-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-4-oxidanylidene-3-[(1-sulfonatonaphthalen-2-yl)hydrazinylidene]naphthalene-2,7-disulfonate Openeye Name: (3E)-5-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-4-oxo-3-[(1-sulfonato-2-naphthyl)hydrazono]naphthalene-2,7-disulfonate CAS Name: (3E)-5-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-4-oxo-3-[(1-sulfonato-2-naphthalenyl)hydrazinylidene]naphthalene-2,7-disulfonate IUPAC Name: (3E)-5-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-4-oxo-3-[(1-sulfonatonaphthalen-2-yl)hydrazinylidene]naphthalene-2,7-disulfonate Traditional Name: (3E)-5-[[4-chloro-6-(ethylamino)-s-triazin-2-yl]amino]-4-keto-3-[(1-sulfonato-2-naphthyl)hydrazono]naphthalene-2,7-disulfonate Formula: C25H17ClN7O10S3-3 MolecularWeight: 707.09138

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC(=N1)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C(=NNC4=C(C5=CC=CC=C5C=C4)S(=O)(=O)[O-])C3=O)S(=O)(=O)[O-])Cl

Isomeric SMILES

CCNC1=NC(=NC(=N1)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(/C(=N/NC4=C(C5=CC=CC=C5C=C4)S(=O)(=O)[O-])/C3=O)S(=O)(=O)[O-])Cl

InChI

InChI=1S/C25H20ClN7O10S3/c1-2-27-24-29-23(26)30-25(31-24)28-17-11-14(44(35,36)37)9-13-10-18(45(38,39)40)20(21(34)19(13)17)33-32-16-8-7-12-5-3-4-6-15(12)22(16)46(41,42)43/h3-11,32H,2H2,1H3,(H,35,36,37)(H,38,39,40)(H,41,42,43)(H2,27,28,29,30,31)/p-3/b33-20-