7-tert-butyl-2-methyl-2-[(4-nitrophenoxy)methyl]-3,4-dihydrochromene-4,6-diol

Systemtic Name: 7-tert-butyl-2-methyl-2-[(4-nitrophenoxy)methyl]-3,4-dihydrochromene-4,6-diol Openeye Name: 7-tert-butyl-2-methyl-2-[(4-nitrophenoxy)methyl]chromane-4,6-diol CAS Name: 7-tert-butyl-2-methyl-2-[(4-nitrophenoxy)methyl]-3,4-dihydro-2H-1-benzopyran-4,6-diol IUPAC Name: 7-tert-butyl-2-methyl-2-[(4-nitrophenoxy)methyl]-3,4-dihydrochromene-4,6-diol Traditional Name: 7-tert-butyl-2-methyl-2-[(4-nitrophenoxy)methyl]chroman-4,6-diol Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=CC(=C(C=C2O1)C(C)(C)C)O)O)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1(CC(C2=CC(=C(C=C2O1)C(C)(C)C)O)O)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25NO6/c1-20(2,3)16-10-19-15(9-17(16)23)18(24)11-21(4,28-19)12-27-14-7-5-13(6-8-14)22(25)26/h5-10,18,23-24H,11-12H2,1-4H3