3-[6-cyano-3-ethyl-2-[(E,3Z)-3-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]benzimidazol-3-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[6-cyano-3-ethyl-2-[(E,3Z)-3-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]benzimidazol-3-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[6-cyano-3-ethyl-2-[(E,3Z)-3-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]benzimidazol-3-ium-1-yl]propane-1-sulfonate CAS Name: 3-[6-cyano-3-ethyl-2-[(E,3Z)-3-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-1-benzimidazol-3-iumyl]-1-propanesulfonate IUPAC Name: 3-[6-cyano-3-ethyl-2-[(E,3Z)-3-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]benzimidazol-3-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[6-cyano-3-ethyl-2-[(E,3Z)-3-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]benzimidazol-3-ium-1-yl]propane-1-sulfonate Formula: C31H30N4O4S MolecularWeight: 554.6593

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C3=CC=CC=C3)OC1=CC=CC4=[N+](C5=C(N4CCCS(=O)(=O)[O-])C=C(C=C5)C#N)CC

Isomeric SMILES

CCN\1C2=C(C=CC(=C2)C3=CC=CC=C3)O/C1=C\C=C\C4=[N+](C5=C(N4CCCS(=O)(=O)[O-])C=C(C=C5)C#N)CC

InChI

InChI=1S/C31H30N4O4S/c1-3-33-26-16-14-23(22-32)20-27(26)35(18-9-19-40(36,37)38)30(33)12-8-13-31-34(4-2)28-21-25(15-17-29(28)39-31)24-10-6-5-7-11-24/h5-8,10-17,20-21H,3-4,9,18-19H2,1-2H3