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

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

CCCCC1(OC(=O)C(=CC2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-])C(=O)O1)C

Isomeric SMILES

CCCCC1(OC(=O)C(=CC2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-])C(=O)O1)C

InChI

InChI=1S/C17H19NO8/c1-4-5-6-17(2)25-15(20)11(16(21)26-17)7-10-8-12(18(22)23)14(19)13(9-10)24-3/h7-9,19H,4-6H2,1-3H3/p-1