3-[[2-(4-tert-butylphenyl)-6,7-dimethyl-4-oxidanylidene-chromen-3-yl]oxymethyl]benzoate

Systemtic Name: 3-[[2-(4-tert-butylphenyl)-6,7-dimethyl-4-oxidanylidene-chromen-3-yl]oxymethyl]benzoate Openeye Name: 3-[[2-(4-tert-butylphenyl)-6,7-dimethyl-4-oxo-chromen-3-yl]oxymethyl]benzoate CAS Name: 3-[[2-(4-tert-butylphenyl)-6,7-dimethyl-4-oxo-1-benzopyran-3-yl]oxymethyl]benzoate IUPAC Name: 3-[[2-(4-tert-butylphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxymethyl]benzoate Traditional Name: 3-[[2-(4-tert-butylphenyl)-4-keto-6,7-dimethyl-chromen-3-yl]oxymethyl]benzoate Formula: C29H27O5- MolecularWeight: 455.52168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)C(C)(C)C)OCC4=CC=CC(=C4)C(=O)[O-])C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)C(C)(C)C)OCC4=CC=CC(=C4)C(=O)[O-])C

InChI

InChI=1S/C29H28O5/c1-17-13-23-24(14-18(17)2)34-26(20-9-11-22(12-10-20)29(3,4)5)27(25(23)30)33-16-19-7-6-8-21(15-19)28(31)32/h6-15H,16H2,1-5H3,(H,31,32)/p-1