6-(4-bromophenyl)-3-[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl]-3,5,5-trimethyl-oxane-2,4-dione

Systemtic Name: 6-(4-bromophenyl)-3-[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl]-3,5,5-trimethyl-oxane-2,4-dione Openeye Name: 6-(4-bromophenyl)-3-[2-(4-tert-butylphenyl)-2-oxo-ethyl]-3,5,5-trimethyl-tetrahydropyran-2,4-dione CAS Name: 6-(4-bromophenyl)-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-3,5,5-trimethyloxane-2,4-dione IUPAC Name: 6-(4-bromophenyl)-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-3,5,5-trimethyloxane-2,4-dione Traditional Name: 6-(4-bromophenyl)-3-[2-(4-tert-butylphenyl)-2-keto-ethyl]-3,5,5-trimethyl-tetrahydropyran-2,4-quinone Formula: C26H29BrO4 MolecularWeight: 485.41006

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(OC(=O)C(C1=O)(C)CC(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1(C(OC(=O)C(C1=O)(C)CC(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C26H29BrO4/c1-24(2,3)18-11-7-16(8-12-18)20(28)15-26(6)22(29)25(4,5)21(31-23(26)30)17-9-13-19(27)14-10-17/h7-14,21H,15H2,1-6H3