(3Z)-5-azanyl-3-[[5-[[4,6-bis(chloranyl)-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]hydrazinylidene]-6-[(1,5-disulfonaphthalen-2-yl)diazenyl]-4-oxidanylidene-naphthalene-2,7-disulfonic acid

Systemtic Name: (3Z)-5-azanyl-3-[[5-[[4,6-bis(chloranyl)-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]hydrazinylidene]-6-[(1,5-disulfonaphthalen-2-yl)diazenyl]-4-oxidanylidene-naphthalene-2,7-disulfonic acid Openeye Name: (3Z)-5-amino-3-[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfo-phenyl]hydrazono]-6-[(1,5-disulfo-2-naphthyl)azo]-4-oxo-naphthalene-2,7-disulfonic acid CAS Name: (3Z)-5-amino-3-[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]hydrazinylidene]-6-[(1,5-disulfo-2-naphthalenyl)azo]-4-oxonaphthalene-2,7-disulfonic acid IUPAC Name: (3Z)-5-amino-3-[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]hydrazinylidene]-6-[(1,5-disulfonaphthalen-2-yl)diazenyl]-4-oxonaphthalene-2,7-disulfonic acid Traditional Name: (3Z)-5-amino-3-[[5-[(4,6-dichloro-s-triazin-2-yl)amino]-2-sulfo-phenyl]hydrazono]-6-[(1,5-disulfo-2-naphthyl)azo]-4-keto-naphthalene-2,7-disulfonic acid Formula: C29H19Cl2N9O16S5 MolecularWeight: 980.74286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2S(=O)(=O)O)N=NC3=C(C=C4C=C(C(=NNC5=C(C=CC(=C5)NC6=NC(=NC(=N6)Cl)Cl)S(=O)(=O)O)C(=O)C4=C3N)S(=O)(=O)O)S(=O)(=O)O)C(=C1)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=CC(=C2S(=O)(=O)O)N=NC3=C(C=C4C=C(/C(=N\NC5=C(C=CC(=C5)NC6=NC(=NC(=N6)Cl)Cl)S(=O)(=O)O)/C(=O)C4=C3N)S(=O)(=O)O)S(=O)(=O)O)C(=C1)S(=O)(=O)O

InChI

InChI=1S/C29H19Cl2N9O16S5/c30-27-34-28(31)36-29(35-27)33-12-4-7-18(58(45,46)47)16(10-12)38-40-24-20(60(51,52)53)9-11-8-19(59(48,49)50)23(22(32)21(11)25(24)41)39-37-15-6-5-13-14(26(15)61(54,55)56)2-1-3-17(13)57(42,43)44/h1-10,38H,32H2,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,33,34,35,36)/b39-37?,40-24+