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

Systemtic Name: 3-[[2-acetamido-4-[[4-chloranyl-6-(2-sulfoethylamino)-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,5-disulfonic acid Openeye Name: 3-[2-acetamido-4-[[4-chloro-6-(2-sulfoethylamino)-1,3,5-triazin-2-yl]amino]phenyl]azonaphthalene-1,5-disulfonic acid CAS Name: 3-[2-acetamido-4-[[4-chloro-6-(2-sulfoethylamino)-1,3,5-triazin-2-yl]amino]phenyl]azonaphthalene-1,5-disulfonic acid IUPAC Name: 3-[[2-acetamido-4-[[4-chloro-6-(2-sulfoethylamino)-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,5-disulfonic acid Traditional Name: 3-[2-acetamido-4-[[4-chloro-6-(2-sulfoethylamino)-s-triazin-2-yl]amino]phenyl]azonaphthalene-1,5-disulfonic acid Formula: C23H21ClN8O10S3 MolecularWeight: 701.10844

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)NC2=NC(=NC(=N2)Cl)NCCS(=O)(=O)O)N=NC3=CC(=C4C=CC=C(C4=C3)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)NC2=NC(=NC(=N2)Cl)NCCS(=O)(=O)O)N=NC3=CC(=C4C=CC=C(C4=C3)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C23H21ClN8O10S3/c1-12(33)26-18-10-13(27-23-29-21(24)28-22(30-23)25-7-8-43(34,35)36)5-6-17(18)32-31-14-9-16-15(20(11-14)45(40,41)42)3-2-4-19(16)44(37,38)39/h2-6,9-11H,7-8H2,1H3,(H,26,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)(H2,25,27,28,29,30)