(3E)-7-[[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-4-oxidanylidene-3-[[4-[(4-sulfophenyl)diazenyl]phenyl]hydrazinylidene]naphthalene-2-sulfonic acid

Systemtic Name: (3E)-7-[[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-4-oxidanylidene-3-[[4-[(4-sulfophenyl)diazenyl]phenyl]hydrazinylidene]naphthalene-2-sulfonic acid Openeye Name: (3E)-7-[[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-4-oxo-3-[[4-(4-sulfophenyl)azophenyl]hydrazono]naphthalene-2-sulfonic acid CAS Name: (3E)-7-[[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-4-oxo-3-[[4-(4-sulfophenyl)azophenyl]hydrazinylidene]-2-naphthalenesulfonic acid IUPAC Name: (3E)-7-[[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-4-oxo-3-[[4-[(4-sulfophenyl)diazenyl]phenyl]hydrazinylidene]naphthalene-2-sulfonic acid Traditional Name: (3E)-7-[[4,6-bis(2-hydroxyethylamino)-s-triazin-2-yl]amino]-4-keto-3-[[4-(4-sulfophenyl)azophenyl]hydrazono]naphthalene-2-sulfonic acid Formula: C29H28N10O9S2 MolecularWeight: 724.72422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NN=C2C(=CC3=C(C2=O)C=CC(=C3)NC4=NC(=NC(=N4)NCCO)NCCO)S(=O)(=O)O)N=NC5=CC=C(C=C5)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1N/N=C\2/C(=CC3=C(C2=O)C=CC(=C3)NC4=NC(=NC(=N4)NCCO)NCCO)S(=O)(=O)O)N=NC5=CC=C(C=C5)S(=O)(=O)O

InChI

InChI=1S/C29H28N10O9S2/c40-13-11-30-27-33-28(31-12-14-41)35-29(34-27)32-21-7-10-23-17(15-21)16-24(50(46,47)48)25(26(23)42)39-38-19-3-1-18(2-4-19)36-37-20-5-8-22(9-6-20)49(43,44)45/h1-10,15-16,38,40-41H,11-14H2,(H,43,44,45)(H,46,47,48)(H3,30,31,32,33,34,35)/b37-36?,39-25-