7-[[2-(aminocarbonylamino)-4-[[4-chloranyl-6-[[5-[[4-chloranyl-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid

Systemtic Name: 7-[[2-(aminocarbonylamino)-4-[[4-chloranyl-6-[[5-[[4-chloranyl-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid Openeye Name: 7-[4-[[4-chloro-6-[5-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfo-anilino]-1,3,5-triazin-2-yl]amino]-2-ureido-phenyl]azonaphthalene-1,3,6-trisulfonic acid CAS Name: 7-[2-(carbamoylamino)-4-[[4-chloro-6-[5-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfoanilino]-1,3,5-triazin-2-yl]amino]phenyl]azonaphthalene-1,3,6-trisulfonic acid IUPAC Name: 7-[[2-(carbamoylamino)-4-[[4-chloro-6-[5-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfoanilino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid Traditional Name: 7-[4-[[4-chloro-6-[5-[[4-chloro-6-(3-sulfoanilino)-s-triazin-2-yl]amino]-2-sulfo-anilino]-s-triazin-2-yl]amino]-2-ureido-phenyl]azonaphthalene-1,3,6-trisulfonic acid Formula: C35H26Cl2N14O16S5 MolecularWeight: 1129.89614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)NC2=NC(=NC(=N2)NC3=CC(=C(C=C3)S(=O)(=O)O)NC4=NC(=NC(=N4)NC5=CC(=C(C=C5)N=NC6=C(C=C7C=C(C=C(C7=C6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)N)Cl)Cl

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)NC2=NC(=NC(=N2)NC3=CC(=C(C=C3)S(=O)(=O)O)NC4=NC(=NC(=N4)NC5=CC(=C(C=C5)N=NC6=C(C=C7C=C(C=C(C7=C6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)N)Cl)Cl

InChI

InChI=1S/C35H26Cl2N14O16S5/c36-29-44-32(39-16-2-1-3-19(10-16)68(53,54)55)48-33(45-29)41-18-5-7-26(70(59,60)61)24(12-18)43-35-47-30(37)46-34(49-35)40-17-4-6-22(23(11-17)42-31(38)52)50-51-25-14-21-15(9-28(25)72(65,66)67)8-20(69(56,57)58)13-27(21)71(62,63)64/h1-14H,(H3,38,42,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H2,39,41,44,45,48)(H2,40,43,46,47,49)