4-[[2-tert-butyl-2-methyl-4,6-bis(oxidanylidene)-1,3-dioxan-5-ylidene]methyl]-2-nitro-phenolate

Systemtic Name: 4-[[2-tert-butyl-2-methyl-4,6-bis(oxidanylidene)-1,3-dioxan-5-ylidene]methyl]-2-nitro-phenolate Openeye Name: 4-[(2-tert-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-nitro-phenolate CAS Name: 4-[(2-tert-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-nitrophenolate IUPAC Name: 4-[(2-tert-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-nitrophenolate Traditional Name: 4-[(2-tert-butyl-4,6-diketo-2-methyl-1,3-dioxan-5-ylidene)methyl]-2-nitro-phenolate Formula: C16H16NO7- MolecularWeight: 334.30074

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(=CC2=CC(=C(C=C2)[O-])[N+](=O)[O-])C(=O)O1)C(C)(C)C

Isomeric SMILES

CC1(OC(=O)C(=CC2=CC(=C(C=C2)[O-])[N+](=O)[O-])C(=O)O1)C(C)(C)C

InChI

InChI=1S/C16H17NO7/c1-15(2,3)16(4)23-13(19)10(14(20)24-16)7-9-5-6-12(18)11(8-9)17(21)22/h5-8,18H,1-4H3/p-1