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

Systemtic Name: (3E)-5-[[4-(ethylamino)-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-4-oxidanylidene-3-[(1-sulfonatonaphthalen-2-yl)hydrazinylidene]naphthalene-2,7-disulfonate Openeye Name: (3E)-5-[[4-(ethylamino)-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-4-oxo-3-[(1-sulfonato-2-naphthyl)hydrazono]naphthalene-2,7-disulfonate CAS Name: (3E)-5-[[4-(ethylamino)-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-4-oxo-3-[(1-sulfonato-2-naphthalenyl)hydrazinylidene]naphthalene-2,7-disulfonate IUPAC Name: (3E)-5-[[4-(ethylamino)-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-4-oxo-3-[(1-sulfonatonaphthalen-2-yl)hydrazinylidene]naphthalene-2,7-disulfonate Traditional Name: (3E)-5-[[4-(ethylamino)-6-(2-sulfonatoethylamino)-s-triazin-2-yl]amino]-4-keto-3-[(1-sulfonato-2-naphthyl)hydrazono]naphthalene-2,7-disulfonate Formula: C27H22N8O13S4-4 MolecularWeight: 794.76938

Click to see the large picture

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-])NCCS(=O)(=O)[O-]

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-])NCCS(=O)(=O)[O-]

InChI

InChI=1S/C27H26N8O13S4/c1-2-28-25-31-26(29-9-10-49(37,38)39)33-27(32-25)30-19-13-16(50(40,41)42)11-15-12-20(51(43,44)45)22(23(36)21(15)19)35-34-18-8-7-14-5-3-4-6-17(14)24(18)52(46,47)48/h3-8,11-13,34H,2,9-10H2,1H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H3,28,29,30,31,32,33)/p-4/b35-22-