[3-[(3E,6Z)-3,6-bis[cyano(isocyano)methylidene]-4-[2-methyl-3-[tris(oxidanyl)-$l^{4}-sulfanyl]oxy-propoxy]cyclohexa-1,4-dien-1-yl]oxy-2-methyl-propyl] hydrogen sulfate

Systemtic Name: [3-[(3E,6Z)-3,6-bis[cyano(isocyano)methylidene]-4-[2-methyl-3-[tris(oxidanyl)-$l^{4}-sulfanyl]oxy-propoxy]cyclohexa-1,4-dien-1-yl]oxy-2-methyl-propyl] hydrogen sulfate Openeye Name: [3-[(3E,6Z)-3,6-bis[cyano(isocyano)methylene]-4-[2-methyl-3-(trihydroxy-$l^{4}-sulfanyl)oxy-propoxy]cyclohexa-1,4-dien-1-yl]oxy-2-methyl-propyl] hydrogen sulfate CAS Name: sulfuric acid [3-[[(3E,6Z)-3,6-bis[cyano(isocyano)methylidene]-4-[2-methyl-3-(trihydroxy-$l^{4}-sulfanyl)oxypropoxy]-1-cyclohexa-1,4-dienyl]oxy]-2-methylpropyl] ester IUPAC Name: [3-[(3E,6Z)-3,6-bis[cyano(isocyano)methylidene]-4-[2-methyl-3-(trihydroxy-$l^{4}-sulfanyl)oxypropoxy]cyclohexa-1,4-dien-1-yl]oxy-2-methylpropyl] hydrogen sulfate Traditional Name: sulfuric acid [3-[(3E,6Z)-3,6-bis[cyano(isocyano)methylene]-4-(2-methyl-3-trihydroxysulfuranyloxy-propoxy)cyclohexa-1,4-dien-1-yl]oxy-2-methyl-propyl] ester Formula: C20H22N4O10S2 MolecularWeight: 542.53948

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC(=C(C#N)[N+]#[C-])C(=CC1=C(C#N)[N+]#[C-])OCC(C)COS(=O)(=O)O)COS(O)(O)O

Isomeric SMILES

CC(COC\1=C/C(=C(\C#N)/[N+]#[C-])/C(=C/C1=C(/C#N)\[N+]#[C-])OCC(C)COS(=O)(=O)O)COS(O)(O)O

InChI

InChI=1S/C20H22N4O10S2/c1-13(11-33-35(25,26)27)9-31-19-5-16(18(8-22)24-4)20(6-15(19)17(7-21)23-3)32-10-14(2)12-34-36(28,29)30/h5-6,13-14,25-27H,9-12H2,1-2H3,(H,28,29,30)/b17-15+,18-16-