3-[(2E)-2-[(2E,4E)-5-cyano-6-naphthalen-1-yl-6-oxidanylidene-hexa-2,4-dienylidene]-5-phenyl-1,3-benzoxazol-3-yl]propane-1-sulfonate

Systemtic Name: 3-[(2E)-2-[(2E,4E)-5-cyano-6-naphthalen-1-yl-6-oxidanylidene-hexa-2,4-dienylidene]-5-phenyl-1,3-benzoxazol-3-yl]propane-1-sulfonate Openeye Name: 3-[(2E)-2-[(2E,4E)-5-cyano-6-(1-naphthyl)-6-oxo-hexa-2,4-dienylidene]-5-phenyl-1,3-benzoxazol-3-yl]propane-1-sulfonate CAS Name: 3-[(2E)-2-[(2E,4E)-5-cyano-6-(1-naphthalenyl)-6-oxohexa-2,4-dienylidene]-5-phenyl-1,3-benzoxazol-3-yl]-1-propanesulfonate IUPAC Name: 3-[(2E)-2-[(2E,4E)-5-cyano-6-naphthalen-1-yl-6-oxohexa-2,4-dienylidene]-5-phenyl-1,3-benzoxazol-3-yl]propane-1-sulfonate Traditional Name: 3-[(2E)-2-[(2E,4E)-5-cyano-6-keto-6-(1-naphthyl)hexa-2,4-dienylidene]-5-phenyl-1,3-benzoxazol-3-yl]propane-1-sulfonate Formula: C33H25N2O5S- MolecularWeight: 561.627

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=CC=CC=C(C#N)C(=O)C4=CC=CC5=CC=CC=C54)N3CCCS(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(C=C2)O/C(=C/C=C/C=C(\C#N)/C(=O)C4=CC=CC5=CC=CC=C54)/N3CCCS(=O)(=O)[O-]

InChI

InChI=1S/C33H26N2O5S/c34-23-27(33(36)29-16-8-14-25-12-4-6-15-28(25)29)13-5-7-17-32-35(20-9-21-41(37,38)39)30-22-26(18-19-31(30)40-32)24-10-2-1-3-11-24/h1-8,10-19,22H,9,20-21H2,(H,37,38,39)/p-1/b7-5+,27-13+,32-17+