3-[2-[(3E,6Z)-3,6-bis[cyano(isocyano)methylidene]-4-[2-[3-phenyl-3-[tris(oxidanyl)-$l^{4}-sulfanyl]propoxy]ethoxy]cyclohexa-1,4-dien-1-yl]oxyethoxy]-1-phenyl-propane-1-sulfonic acid

Systemtic Name: 3-[2-[(3E,6Z)-3,6-bis[cyano(isocyano)methylidene]-4-[2-[3-phenyl-3-[tris(oxidanyl)-$l^{4}-sulfanyl]propoxy]ethoxy]cyclohexa-1,4-dien-1-yl]oxyethoxy]-1-phenyl-propane-1-sulfonic acid Openeye Name: 3-[2-[(3E,6Z)-3,6-bis[cyano(isocyano)methylene]-4-[2-[3-phenyl-3-(trihydroxy-$l^{4}-sulfanyl)propoxy]ethoxy]cyclohexa-1,4-dien-1-yl]oxyethoxy]-1-phenyl-propane-1-sulfonic acid CAS Name: 3-[2-[[(3E,6Z)-3,6-bis[cyano(isocyano)methylidene]-4-[2-[3-phenyl-3-(trihydroxy-$l^{4}-sulfanyl)propoxy]ethoxy]-1-cyclohexa-1,4-dienyl]oxy]ethoxy]-1-phenyl-1-propanesulfonic acid IUPAC Name: 3-[2-[(3E,6Z)-3,6-bis[cyano(isocyano)methylidene]-4-[2-[3-phenyl-3-(trihydroxy-$l^{4}-sulfanyl)propoxy]ethoxy]cyclohexa-1,4-dien-1-yl]oxyethoxy]-1-phenylpropane-1-sulfonic acid Traditional Name: 3-[2-[(3E,6Z)-3,6-bis[cyano(isocyano)methylene]-4-[2-(3-phenyl-3-trihydroxysulfuranyl-propoxy)ethoxy]cyclohexa-1,4-dien-1-yl]oxyethoxy]-1-phenyl-propane-1-sulfonic acid Formula: C34H34N4O10S2 MolecularWeight: 722.78456

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C(=C1C=C(C(=C(C#N)[N+]#[C-])C=C1OCCOCCC(C2=CC=CC=C2)S(O)(O)O)OCCOCCC(C3=CC=CC=C3)S(=O)(=O)O)C#N

Isomeric SMILES

[C-]#[N+]/C(=C/1\C=C(/C(=C(/C#N)\[N+]#[C-])/C=C1OCCOCCC(C2=CC=CC=C2)S(O)(O)O)OCCOCCC(C3=CC=CC=C3)S(=O)(=O)O)/C#N

InChI

InChI=1S/C34H34N4O10S2/c1-37-29(23-35)27-21-32(48-20-18-46-16-14-34(50(42,43)44)26-11-7-4-8-12-26)28(30(24-36)38-2)22-31(27)47-19-17-45-15-13-33(49(39,40)41)25-9-5-3-6-10-25/h3-12,21-22,33-34,39-41H,13-20H2,(H,42,43,44)/b29-27+,30-28-