7,7-bis(4-fluorophenyl)-5-oxidanyl-3-oxidanylidene-6-(2-propan-2-yl-1,2,3,4-tetrazol-5-yl)hept-6-enoate

Systemtic Name: 7,7-bis(4-fluorophenyl)-5-oxidanyl-3-oxidanylidene-6-(2-propan-2-yl-1,2,3,4-tetrazol-5-yl)hept-6-enoate Openeye Name: 7,7-bis(4-fluorophenyl)-5-hydroxy-6-(2-isopropyltetrazol-5-yl)-3-oxo-hept-6-enoate CAS Name: 7,7-bis(4-fluorophenyl)-5-hydroxy-3-oxo-6-(2-propan-2-yl-5-tetrazolyl)-6-heptenoate IUPAC Name: 7,7-bis(4-fluorophenyl)-5-hydroxy-3-oxo-6-(2-propan-2-yltetrazol-5-yl)hept-6-enoate Traditional Name: 7,7-bis(4-fluorophenyl)-5-hydroxy-6-(2-isopropyltetrazol-5-yl)-3-keto-hept-6-enoate Formula: C23H21F2N4O4- MolecularWeight: 455.434046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1N=C(N=N1)C(=C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(CC(=O)CC(=O)[O-])O

Isomeric SMILES

CC(C)N1N=C(N=N1)C(=C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(CC(=O)CC(=O)[O-])O

InChI

InChI=1S/C23H22F2N4O4/c1-13(2)29-27-23(26-28-29)22(19(31)11-18(30)12-20(32)33)21(14-3-7-16(24)8-4-14)15-5-9-17(25)10-6-15/h3-10,13,19,31H,11-12H2,1-2H3,(H,32,33)/p-1