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

Systemtic Name: 4-[[2-tert-butyl-2-methyl-4,6-bis(oxidanylidene)-1,3-dioxan-5-ylidene]methyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(2-tert-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(2-tert-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(2-tert-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(2-tert-butyl-4,6-diketo-2-methyl-1,3-dioxan-5-ylidene)methyl]-2-methoxy-6-nitro-phenolate Formula: C17H18NO8- MolecularWeight: 364.32672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO8/c1-16(2,3)17(4)25-14(20)10(15(21)26-17)6-9-7-11(18(22)23)13(19)12(8-9)24-5/h6-8,19H,1-5H3/p-1