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

Systemtic Name: 7-[[4-[[4-[[4-fluoranyl-6-[(2-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-methyl-phenyl]diazenyl]-7-sulfo-naphthalen-1-yl]diazenyl]naphthalene-1,3,5-trisulfonic acid Openeye Name: 7-[[4-[4-[[4-fluoro-6-(2-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-methyl-phenyl]azo-7-sulfo-1-naphthyl]azo]naphthalene-1,3,5-trisulfonic acid CAS Name: 7-[[4-[4-[[4-fluoro-6-(2-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]azo-7-sulfo-1-naphthalenyl]azo]naphthalene-1,3,5-trisulfonic acid IUPAC Name: 7-[[4-[[4-[[4-fluoro-6-(2-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-1,3,5-trisulfonic acid Traditional Name: 7-[[4-[4-[[4-fluoro-6-(2-sulfoanilino)-s-triazin-2-yl]amino]-2-methyl-phenyl]azo-7-sulfo-1-naphthyl]azo]naphthalene-1,3,5-trisulfonic acid Formula: C36H26FN9O15S5 MolecularWeight: 1003.966343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC(=NC(=N2)F)NC3=CC=CC=C3S(=O)(=O)O)N=NC4=C5C=CC(=CC5=C(C=C4)N=NC6=CC(=C7C=C(C=C(C7=C6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC(=NC(=N2)F)NC3=CC=CC=C3S(=O)(=O)O)N=NC4=C5C=CC(=CC5=C(C=C4)N=NC6=CC(=C7C=C(C=C(C7=C6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C36H26FN9O15S5/c1-18-12-19(38-35-40-34(37)41-36(42-35)39-30-4-2-3-5-31(30)64(53,54)55)6-9-27(18)44-46-28-10-11-29(24-15-21(62(47,48)49)7-8-23(24)28)45-43-20-13-25-26(32(14-20)65(56,57)58)16-22(63(50,51)52)17-33(25)66(59,60)61/h2-17H,1H3,(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H2,38,39,40,41,42)