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

Systemtic Name: (3Z)-5-[[4-chloranyl-6-[[4-[[4-chloranyl-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]amino]-1,3,5-triazin-2-yl]amino]-4-oxidanylidene-3-[(2-sulfophenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid Openeye Name: (3Z)-5-[[4-chloro-6-[4-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfo-anilino]-1,3,5-triazin-2-yl]amino]-4-oxo-3-[(2-sulfophenyl)hydrazono]naphthalene-2,7-disulfonic acid CAS Name: (3Z)-5-[[4-chloro-6-[4-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfoanilino]-1,3,5-triazin-2-yl]amino]-4-oxo-3-[(2-sulfophenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid IUPAC Name: (3Z)-5-[[4-chloro-6-[4-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfoanilino]-1,3,5-triazin-2-yl]amino]-4-oxo-3-[(2-sulfophenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid Traditional Name: (3Z)-5-[[4-chloro-6-[4-[[4-chloro-6-(3-sulfoanilino)-s-triazin-2-yl]amino]-2-sulfo-anilino]-s-triazin-2-yl]amino]-4-keto-3-[(2-sulfophenyl)hydrazono]naphthalene-2,7-disulfonic acid Formula: C34H24Cl2N12O16S5 MolecularWeight: 1087.85616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NN=C2C(=CC3=CC(=CC(=C3C2=O)NC4=NC(=NC(=N4)NC5=C(C=C(C=C5)NC6=NC(=NC(=N6)NC7=CC(=CC=C7)S(=O)(=O)O)Cl)S(=O)(=O)O)Cl)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)N/N=C/2\C(=CC3=CC(=CC(=C3C2=O)NC4=NC(=NC(=N4)NC5=C(C=C(C=C5)NC6=NC(=NC(=N6)NC7=CC(=CC=C7)S(=O)(=O)O)Cl)S(=O)(=O)O)Cl)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C34H24Cl2N12O16S5/c35-29-41-31(37-16-4-3-5-18(12-16)65(50,51)52)45-32(42-29)38-17-8-9-20(24(13-17)68(59,60)61)39-33-43-30(36)44-34(46-33)40-22-14-19(66(53,54)55)10-15-11-25(69(62,63)64)27(28(49)26(15)22)48-47-21-6-1-2-7-23(21)67(56,57)58/h1-14,47H,(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H2,37,38,41,42,45)(H2,39,40,43,44,46)/b48-27+