4-[3-[2-(benzotriazol-2-yl)-4-chloranyl-phenoxy]propoxy]-3-chloranyl-benzoic acid

Systemtic Name: 4-[3-[2-(benzotriazol-2-yl)-4-chloranyl-phenoxy]propoxy]-3-chloranyl-benzoic acid Openeye Name: 4-[3-[2-(benzotriazol-2-yl)-4-chloro-phenoxy]propoxy]-3-chloro-benzoic acid CAS Name: 4-[3-[2-(2-benzotriazolyl)-4-chlorophenoxy]propoxy]-3-chlorobenzoic acid IUPAC Name: 4-[3-[2-(benzotriazol-2-yl)-4-chlorophenoxy]propoxy]-3-chlorobenzoic acid Traditional Name: 4-[3-[2-(benzotriazol-2-yl)-4-chloro-phenoxy]propoxy]-3-chloro-benzoic acid Formula: C22H17Cl2N3O4 MolecularWeight: 458.29408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NN(N=C2C=C1)C3=C(C=CC(=C3)Cl)OCCCOC4=C(C=C(C=C4)C(=O)O)Cl

Isomeric SMILES

C1=CC2=NN(N=C2C=C1)C3=C(C=CC(=C3)Cl)OCCCOC4=C(C=C(C=C4)C(=O)O)Cl

InChI

InChI=1S/C22H17Cl2N3O4/c23-15-7-9-21(19(13-15)27-25-17-4-1-2-5-18(17)26-27)31-11-3-10-30-20-8-6-14(22(28)29)12-16(20)24/h1-2,4-9,12-13H,3,10-11H2,(H,28,29)