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

Systemtic Name: 7-[[2-(aminocarbonylamino)-4-[(4-chloranyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid Openeye Name: 7-[4-[(4-chloro-6-isopropoxy-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-propan-2-yloxy-1,3,5-triazin-2-yl)amino]phenyl]azonaphthalene-1,3,6-trisulfonic acid IUPAC Name: 7-[[2-(carbamoylamino)-4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid Traditional Name: 7-[4-[(4-chloro-6-isopropoxy-s-triazin-2-yl)amino]-2-ureido-phenyl]azonaphthalene-1,3,6-trisulfonic acid Formula: C23H21ClN8O11S3 MolecularWeight: 717.10784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=NC(=NC(=N1)NC2=CC(=C(C=C2)N=NC3=C(C=C4C=C(C=C(C4=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)N)Cl

Isomeric SMILES

CC(C)OC1=NC(=NC(=N1)NC2=CC(=C(C=C2)N=NC3=C(C=C4C=C(C=C(C4=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)N)Cl

InChI

InChI=1S/C23H21ClN8O11S3/c1-10(2)43-23-29-20(24)28-22(30-23)26-12-3-4-15(16(7-12)27-21(25)33)31-32-17-9-14-11(6-19(17)46(40,41)42)5-13(44(34,35)36)8-18(14)45(37,38)39/h3-10H,1-2H3,(H3,25,27,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,26,28,29,30)