sodium; 2-oxidanylidene-3-(3-oxidanylidene-1-phenyl-butyl)chromen-4-olate; propan-2-ol

Systemtic Name: sodium; 2-oxidanylidene-3-(3-oxidanylidene-1-phenyl-butyl)chromen-4-olate; propan-2-ol Openeye Name: sodium; 2-oxo-3-(3-oxo-1-phenyl-butyl)chromen-4-olate; propan-2-ol CAS Name: sodium; 2-oxo-3-(3-oxo-1-phenylbutyl)-1-benzopyran-4-olate; 2-propanol IUPAC Name: sodium; 2-oxo-3-(3-oxo-1-phenylbutyl)chromen-4-olate; propan-2-ol Traditional Name: sodium; 2-keto-3-(3-keto-1-phenyl-butyl)chromen-4-olate; propan-2-ol Formula: C22H23NaO5 MolecularWeight: 390.40479

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)O.CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)[O-].[Na+]

Isomeric SMILES

CC(C)O.CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)[O-].[Na+]

InChI

InChI=1S/C19H16O4.C3H8O.Na/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22;1-3(2)4;/h2-10,15,21H,11H2,1H3;3-4H,1-2H3;/q;;+1/p-1