ethyl (6E)-9,9-bis(4-fluorophenyl)-5-oxidanyl-3-oxidanylidene-8-(2-propan-2-yl-1,2,3,4-tetrazol-5-yl)nona-6,8-dienoate

Systemtic Name: ethyl (6E)-9,9-bis(4-fluorophenyl)-5-oxidanyl-3-oxidanylidene-8-(2-propan-2-yl-1,2,3,4-tetrazol-5-yl)nona-6,8-dienoate Openeye Name: ethyl (6E)-9,9-bis(4-fluorophenyl)-5-hydroxy-8-(2-isopropyltetrazol-5-yl)-3-oxo-nona-6,8-dienoate CAS Name: (6E)-9,9-bis(4-fluorophenyl)-5-hydroxy-3-oxo-8-(2-propan-2-yl-5-tetrazolyl)nona-6,8-dienoic acid ethyl ester IUPAC Name: ethyl (6E)-9,9-bis(4-fluorophenyl)-5-hydroxy-3-oxo-8-(2-propan-2-yltetrazol-5-yl)nona-6,8-dienoate Traditional Name: (6E)-9,9-bis(4-fluorophenyl)-5-hydroxy-8-(2-isopropyltetrazol-5-yl)-3-keto-nona-6,8-dienoic acid ethyl ester Formula: C27H28F2N4O4 MolecularWeight: 510.532426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CC(C=CC(=C(C1=CC=C(C=C1)F)C2=CC=C(C=C2)F)C3=NN(N=N3)C(C)C)O

Isomeric SMILES

CCOC(=O)CC(=O)CC(/C=C/C(=C(C1=CC=C(C=C1)F)C2=CC=C(C=C2)F)C3=NN(N=N3)C(C)C)O

InChI

InChI=1S/C27H28F2N4O4/c1-4-37-25(36)16-23(35)15-22(34)13-14-24(27-30-32-33(31-27)17(2)3)26(18-5-9-20(28)10-6-18)19-7-11-21(29)12-8-19/h5-14,17,22,34H,4,15-16H2,1-3H3/b14-13+