2-[4-[(3E,6Z)-3,6-bis[cyano(isocyano)methylidene]-4-[4-[2-[tris(oxidanyl)-$l^{4}-sulfanyl]phenyl]carbonyloxybutoxy]cyclohexa-1,4-dien-1-yl]oxybutoxycarbonyl]benzenesulfonic acid

Systemtic Name: 2-[4-[(3E,6Z)-3,6-bis[cyano(isocyano)methylidene]-4-[4-[2-[tris(oxidanyl)-$l^{4}-sulfanyl]phenyl]carbonyloxybutoxy]cyclohexa-1,4-dien-1-yl]oxybutoxycarbonyl]benzenesulfonic acid Openeye Name: 2-[4-[(3E,6Z)-3,6-bis[cyano(isocyano)methylene]-4-[4-[2-(trihydroxy-$l^{4}-sulfanyl)benzoyl]oxybutoxy]cyclohexa-1,4-dien-1-yl]oxybutoxycarbonyl]benzenesulfonic acid CAS Name: 2-[4-[[(3E,6Z)-3,6-bis[cyano(isocyano)methylidene]-4-[4-[oxo-[2-(trihydroxy-$l^{4}-sulfanyl)phenyl]methoxy]butoxy]-1-cyclohexa-1,4-dienyl]oxy]butoxy-oxomethyl]benzenesulfonic acid IUPAC Name: 2-[4-[(3E,6Z)-3,6-bis[cyano(isocyano)methylidene]-4-[4-[2-(trihydroxy-$l^{4}-sulfanyl)benzoyl]oxybutoxy]cyclohexa-1,4-dien-1-yl]oxybutoxycarbonyl]benzenesulfonic acid Traditional Name: 2-[4-[(3E,6Z)-3,6-bis[cyano(isocyano)methylene]-4-[4-(2-trihydroxysulfuranylbenzoyl)oxybutoxy]cyclohexa-1,4-dien-1-yl]oxybutoxycarbonyl]besylic acid Formula: C34H30N4O12S2 MolecularWeight: 750.7516

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C(=C1C=C(C(=C(C#N)[N+]#[C-])C=C1OCCCCOC(=O)C2=CC=CC=C2S(O)(O)O)OCCCCOC(=O)C3=CC=CC=C3S(=O)(=O)O)C#N

Isomeric SMILES

[C-]#[N+]/C(=C/1\C=C(/C(=C(/C#N)\[N+]#[C-])/C=C1OCCCCOC(=O)C2=CC=CC=C2S(O)(O)O)OCCCCOC(=O)C3=CC=CC=C3S(=O)(=O)O)/C#N

InChI

InChI=1S/C34H30N4O12S2/c1-37-27(21-35)25-19-30(48-16-8-10-18-50-34(40)24-12-4-6-14-32(24)52(44,45)46)26(28(22-36)38-2)20-29(25)47-15-7-9-17-49-33(39)23-11-3-5-13-31(23)51(41,42)43/h3-6,11-14,19-20,41-43H,7-10,15-18H2,(H,44,45,46)/b27-25+,28-26-