[3-(4-tert-butylphenoxy)-4-oxidanylidene-chromen-7-yl] 3,5-dinitrobenzoate

Systemtic Name: [3-(4-tert-butylphenoxy)-4-oxidanylidene-chromen-7-yl] 3,5-dinitrobenzoate Openeye Name: [3-(4-tert-butylphenoxy)-4-oxo-chromen-7-yl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [3-(4-tert-butylphenoxy)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-tert-butylphenoxy)-4-oxochromen-7-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [3-(4-tert-butylphenoxy)-4-keto-chromen-7-yl] ester Formula: C26H20N2O9 MolecularWeight: 504.445

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H20N2O9/c1-26(2,3)16-4-6-19(7-5-16)36-23-14-35-22-13-20(8-9-21(22)24(23)29)37-25(30)15-10-17(27(31)32)12-18(11-15)28(33)34/h4-14H,1-3H3