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

Systemtic Name: [3-[(3E,6Z)-3,6-bis[cyano(isocyano)methylidene]-4-[2-methoxy-3-[tris(oxidanyl)-$l^{4}-sulfanyl]oxy-propoxy]cyclohexa-1,4-dien-1-yl]oxy-2-methoxy-propyl] hydrogen sulfate Openeye Name: [3-[(3E,6Z)-3,6-bis[cyano(isocyano)methylene]-4-[2-methoxy-3-(trihydroxy-$l^{4}-sulfanyl)oxy-propoxy]cyclohexa-1,4-dien-1-yl]oxy-2-methoxy-propyl] hydrogen sulfate CAS Name: sulfuric acid [3-[[(3E,6Z)-3,6-bis[cyano(isocyano)methylidene]-4-[2-methoxy-3-(trihydroxy-$l^{4}-sulfanyl)oxypropoxy]-1-cyclohexa-1,4-dienyl]oxy]-2-methoxypropyl] ester IUPAC Name: [3-[(3E,6Z)-3,6-bis[cyano(isocyano)methylidene]-4-[2-methoxy-3-(trihydroxy-$l^{4}-sulfanyl)oxypropoxy]cyclohexa-1,4-dien-1-yl]oxy-2-methoxypropyl] hydrogen sulfate Traditional Name: sulfuric acid [3-[(3E,6Z)-3,6-bis[cyano(isocyano)methylene]-4-(2-methoxy-3-trihydroxysulfuranyloxy-propoxy)cyclohexa-1,4-dien-1-yl]oxy-2-methoxy-propyl] ester Formula: C20H22N4O12S2 MolecularWeight: 574.53828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O12S2/c1-23-17(7-21)15-5-20(34-10-14(32-4)12-36-38(28,29)30)16(18(8-22)24-2)6-19(15)33-9-13(31-3)11-35-37(25,26)27/h5-6,13-14,25-27H,9-12H2,3-4H3,(H,28,29,30)/b17-15+,18-16-