2-[(3Z,6Z)-3,6-bis[cyano(isocyano)methylidene]-5-methyl-4-[2-[tris(oxidanyl)-$l^{4}-sulfanyl]oxyethoxy]cyclohexa-1,4-dien-1-yl]oxyethyl hydrogen sulfate

Systemtic Name: 2-[(3Z,6Z)-3,6-bis[cyano(isocyano)methylidene]-5-methyl-4-[2-[tris(oxidanyl)-$l^{4}-sulfanyl]oxyethoxy]cyclohexa-1,4-dien-1-yl]oxyethyl hydrogen sulfate Openeye Name: 2-[(3Z,6Z)-3,6-bis[cyano(isocyano)methylene]-5-methyl-4-[2-(trihydroxy-$l^{4}-sulfanyl)oxyethoxy]cyclohexa-1,4-dien-1-yl]oxyethyl hydrogen sulfate CAS Name: sulfuric acid 2-[[(3Z,6Z)-3,6-bis[cyano(isocyano)methylidene]-5-methyl-4-[2-(trihydroxy-$l^{4}-sulfanyl)oxyethoxy]-1-cyclohexa-1,4-dienyl]oxy]ethyl ester IUPAC Name: 2-[(3Z,6Z)-3,6-bis[cyano(isocyano)methylidene]-5-methyl-4-[2-(trihydroxy-$l^{4}-sulfanyl)oxyethoxy]cyclohexa-1,4-dien-1-yl]oxyethyl hydrogen sulfate Traditional Name: sulfuric acid 2-[(3Z,6Z)-3,6-bis[cyano(isocyano)methylene]-5-methyl-4-(2-trihydroxysulfuranyloxyethoxy)cyclohexa-1,4-dien-1-yl]oxyethyl ester Formula: C17H16N4O10S2 MolecularWeight: 500.45974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C#N)[N+]#[C-])C=C(C1=C(C#N)[N+]#[C-])OCCOS(=O)(=O)O)OCCOS(O)(O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O10S2/c1-11-16(14(10-19)21-3)15(28-4-6-30-32(22,23)24)8-12(13(9-18)20-2)17(11)29-5-7-31-33(25,26)27/h8,25-27H,4-7H2,1H3,(H,22,23,24)/b13-12-,16-14-