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

Systemtic Name: [3-[(3E,6Z)-3,6-bis[cyano(isocyano)methylidene]-4-[2-oxidanyl-3-[tris(oxidanyl)-$l^{4}-sulfanyl]oxy-propoxy]cyclohexa-1,4-dien-1-yl]oxy-2-oxidanyl-propyl] hydrogen sulfate Openeye Name: [3-[(3E,6Z)-3,6-bis[cyano(isocyano)methylene]-4-[2-hydroxy-3-(trihydroxy-$l^{4}-sulfanyl)oxy-propoxy]cyclohexa-1,4-dien-1-yl]oxy-2-hydroxy-propyl] hydrogen sulfate CAS Name: sulfuric acid [3-[[(3E,6Z)-3,6-bis[cyano(isocyano)methylidene]-4-[2-hydroxy-3-(trihydroxy-$l^{4}-sulfanyl)oxypropoxy]-1-cyclohexa-1,4-dienyl]oxy]-2-hydroxypropyl] ester IUPAC Name: [3-[(3E,6Z)-3,6-bis[cyano(isocyano)methylidene]-4-[2-hydroxy-3-(trihydroxy-$l^{4}-sulfanyl)oxypropoxy]cyclohexa-1,4-dien-1-yl]oxy-2-hydroxypropyl] hydrogen sulfate Traditional Name: sulfuric acid [3-[(3E,6Z)-3,6-bis[cyano(isocyano)methylene]-4-(2-hydroxy-3-trihydroxysulfuranyloxy-propoxy)cyclohexa-1,4-dien-1-yl]oxy-2-hydroxy-propyl] ester Formula: C18H18N4O12S2 MolecularWeight: 546.48512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C(=C1C=C(C(=C(C#N)[N+]#[C-])C=C1OCC(COS(O)(O)O)O)OCC(COS(=O)(=O)O)O)C#N

Isomeric SMILES

[C-]#[N+]/C(=C/1\C=C(/C(=C(/C#N)\[N+]#[C-])/C=C1OCC(COS(O)(O)O)O)OCC(COS(=O)(=O)O)O)/C#N

InChI

InChI=1S/C18H18N4O12S2/c1-21-15(5-19)13-3-18(32-8-12(24)10-34-36(28,29)30)14(16(6-20)22-2)4-17(13)31-7-11(23)9-33-35(25,26)27/h3-4,11-12,23-27H,7-10H2,(H,28,29,30)/b15-13+,16-14-