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

Systemtic Name: (6E)-4-azanyl-3-[[4-[[4-chloranyl-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]diazenyl]-6-[[4-[[4-chloranyl-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]hydrazinylidene]-5-oxidanylidene-naphthalene-2,7-disulfonic acid Openeye Name: (6E)-4-amino-3-[4-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]azo-6-[[4-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]hydrazono]-5-oxo-naphthalene-2,7-disulfonic acid CAS Name: (6E)-4-amino-3-[4-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo-6-[[4-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]hydrazinylidene]-5-oxonaphthalene-2,7-disulfonic acid IUPAC Name: (6E)-4-amino-3-[[4-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-6-[[4-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]hydrazinylidene]-5-oxonaphthalene-2,7-disulfonic acid Traditional Name: (6E)-4-amino-3-[4-[[4-chloro-6-(3-sulfoanilino)-s-triazin-2-yl]amino]-2-sulfo-phenyl]azo-6-[[4-[[4-chloro-6-(3-sulfoanilino)-s-triazin-2-yl]amino]-2-sulfo-phenyl]hydrazono]-5-keto-naphthalene-2,7-disulfonic acid Formula: C40H29Cl2N15O19S6 MolecularWeight: 1287.04336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)NC2=NC(=NC(=N2)Cl)NC3=CC(=C(C=C3)NN=C4C(=CC5=CC(=C(C(=C5C4=O)N)N=NC6=C(C=C(C=C6)NC7=NC(=NC(=N7)NC8=CC(=CC=C8)S(=O)(=O)O)Cl)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)NC2=NC(=NC(=N2)Cl)NC3=CC(=C(C=C3)N/N=C\4/C(=CC5=CC(=C(C(=C5C4=O)N)N=NC6=C(C=C(C=C6)NC7=NC(=NC(=N7)NC8=CC(=CC=C8)S(=O)(=O)O)Cl)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C40H29Cl2N15O19S6/c41-35-48-37(44-18-3-1-5-22(13-18)77(59,60)61)52-39(50-35)46-20-7-9-24(26(15-20)79(65,66)67)54-56-32-28(81(71,72)73)11-17-12-29(82(74,75)76)33(34(58)30(17)31(32)43)57-55-25-10-8-21(16-27(25)80(68,69)70)47-40-51-36(42)49-38(53-40)45-19-4-2-6-23(14-19)78(62,63)64/h1-16,55H,43H2,(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H2,44,46,48,50,52)(H2,45,47,49,51,53)/b56-54?,57-33-