sodium 4-oxidanylidene-6-(1-phenylbutan-2-yl)-3-(1-phenylpropyl)pyran-2-olate

Systemtic Name: sodium 4-oxidanylidene-6-(1-phenylbutan-2-yl)-3-(1-phenylpropyl)pyran-2-olate Openeye Name: sodium 6-(1-benzylpropyl)-4-oxo-3-(1-phenylpropyl)pyran-2-olate CAS Name: sodium 4-oxo-6-(1-phenylbutan-2-yl)-3-(1-phenylpropyl)-2-pyranolate IUPAC Name: sodium 4-oxo-6-(1-phenylbutan-2-yl)-3-(1-phenylpropyl)pyran-2-olate Traditional Name: sodium 6-(1-benzylpropyl)-4-keto-3-(1-phenylpropyl)pyran-2-olate Formula: C24H25NaO3 MolecularWeight: 384.44327

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)C2=CC(=O)C(=C(O2)[O-])C(CC)C3=CC=CC=C3.[Na+]

Isomeric SMILES

CCC(CC1=CC=CC=C1)C2=CC(=O)C(=C(O2)[O-])C(CC)C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C24H26O3.Na/c1-3-18(15-17-11-7-5-8-12-17)22-16-21(25)23(24(26)27-22)20(4-2)19-13-9-6-10-14-19;/h5-14,16,18,20,26H,3-4,15H2,1-2H3;/q;+1/p-1