trisodium (3Z)-5-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)-4-oxidanylidene-3-[(2-sulfonatophenyl)hydrazinylidene]naphthalene-2,7-disulfonate

Systemtic Name: trisodium (3Z)-5-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)-4-oxidanylidene-3-[(2-sulfonatophenyl)hydrazinylidene]naphthalene-2,7-disulfonate Openeye Name: trisodium (3Z)-5-(4-amino-6-anilino-1,3,5-triazin-2-yl)-4-oxo-3-[(2-sulfonatophenyl)hydrazono]naphthalene-2,7-disulfonate CAS Name: trisodium (3Z)-5-(4-amino-6-anilino-1,3,5-triazin-2-yl)-4-oxo-3-[(2-sulfonatophenyl)hydrazinylidene]naphthalene-2,7-disulfonate IUPAC Name: trisodium (3Z)-5-(4-amino-6-anilino-1,3,5-triazin-2-yl)-4-oxo-3-[(2-sulfonatophenyl)hydrazinylidene]naphthalene-2,7-disulfonate Traditional Name: trisodium (3Z)-5-(4-amino-6-anilino-s-triazin-2-yl)-4-keto-3-[(2-sulfonatophenyl)hydrazono]naphthalene-2,7-disulfonate Formula: C25H16N7Na3O10S3 MolecularWeight: 739.59975

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)C3=CC(=CC4=C3C(=O)C(=NNC5=CC=CC=C5S(=O)(=O)[O-])C(=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)C3=CC(=CC4=C3C(=O)/C(=N/NC5=CC=CC=C5S(=O)(=O)[O-])/C(=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C25H19N7O10S3.3Na/c26-24-28-23(29-25(30-24)27-14-6-2-1-3-7-14)16-12-15(43(34,35)36)10-13-11-19(45(40,41)42)21(22(33)20(13)16)32-31-17-8-4-5-9-18(17)44(37,38)39;;;/h1-12,31H,(H,34,35,36)(H,37,38,39)(H,40,41,42)(H3,26,27,28,29,30);;;/q;3*+1/p-3/b32-21+;;;