(4E)-4-[(4-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one; methanesulfonic acid

Systemtic Name: (4E)-4-[(4-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one; methanesulfonic acid Openeye Name: (4E)-4-[(4-hydroxyphenyl)methylene]-2-phenyl-oxazol-5-one; methanesulfonic acid CAS Name: (4E)-4-[(4-hydroxyphenyl)methylidene]-2-phenyl-5-oxazolone; methanesulfonic acid IUPAC Name: (4E)-4-[(4-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one; methanesulfonic acid Traditional Name: (4E)-4-(4-hydroxybenzylidene)-2-phenyl-2-oxazolin-5-one; mesylic acid Formula: C17H15NO6S MolecularWeight: 361.3691

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)O)C(=O)O2

Isomeric SMILES

CS(=O)(=O)O.C1=CC=C(C=C1)C2=N/C(=C/C3=CC=C(C=C3)O)/C(=O)O2

InChI

InChI=1S/C16H11NO3.CH4O3S/c18-13-8-6-11(7-9-13)10-14-16(19)20-15(17-14)12-4-2-1-3-5-12;1-5(2,3)4/h1-10,18H;1H3,(H,2,3,4)/b14-10+;