3-[[4-[[4-chloranyl-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-methoxy-5-methyl-phenyl]diazenyl]naphthalene-1,5-disulfonic acid

Systemtic Name: 3-[[4-[[4-chloranyl-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-methoxy-5-methyl-phenyl]diazenyl]naphthalene-1,5-disulfonic acid Openeye Name: 3-[4-[[4-chloro-6-(4-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-methoxy-5-methyl-phenyl]azonaphthalene-1,5-disulfonic acid CAS Name: 3-[4-[[4-chloro-6-(4-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-methoxy-5-methylphenyl]azonaphthalene-1,5-disulfonic acid IUPAC Name: 3-[[4-[[4-chloro-6-(4-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-methoxy-5-methylphenyl]diazenyl]naphthalene-1,5-disulfonic acid Traditional Name: 3-[4-[[4-chloro-6-(4-sulfoanilino)-s-triazin-2-yl]amino]-2-methoxy-5-methyl-phenyl]azonaphthalene-1,5-disulfonic acid Formula: C27H22ClN7O10S3 MolecularWeight: 736.15248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC2=NC(=NC(=N2)NC3=CC=C(C=C3)S(=O)(=O)O)Cl)OC)N=NC4=CC(=C5C=CC=C(C5=C4)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1NC2=NC(=NC(=N2)NC3=CC=C(C=C3)S(=O)(=O)O)Cl)OC)N=NC4=CC(=C5C=CC=C(C5=C4)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C27H22ClN7O10S3/c1-14-10-21(35-34-16-11-19-18(24(12-16)48(42,43)44)4-3-5-23(19)47(39,40)41)22(45-2)13-20(14)30-27-32-25(28)31-26(33-27)29-15-6-8-17(9-7-15)46(36,37)38/h3-13H,1-2H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H2,29,30,31,32,33)