sodium 4-oxidanylidene-3-(3-oxidanylidene-1-phenyl-pentyl)thiochromen-2-olate

Systemtic Name: sodium 4-oxidanylidene-3-(3-oxidanylidene-1-phenyl-pentyl)thiochromen-2-olate Openeye Name: sodium 4-oxo-3-(3-oxo-1-phenyl-pentyl)thiochromen-2-olate CAS Name: sodium 4-oxo-3-(3-oxo-1-phenylpentyl)-1-benzothiopyran-2-olate IUPAC Name: sodium 4-oxo-3-(3-oxo-1-phenylpentyl)thiochromen-2-olate Traditional Name: sodium 4-keto-3-(3-keto-1-phenyl-pentyl)thiochromen-2-olate Formula: C20H17NaO3S MolecularWeight: 360.40195

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC(C1=CC=CC=C1)C2=C(SC3=CC=CC=C3C2=O)[O-].[Na+]

Isomeric SMILES

CCC(=O)CC(C1=CC=CC=C1)C2=C(SC3=CC=CC=C3C2=O)[O-].[Na+]

InChI

InChI=1S/C20H18O3S.Na/c1-2-14(21)12-16(13-8-4-3-5-9-13)18-19(22)15-10-6-7-11-17(15)24-20(18)23;/h3-11,16,23H,2,12H2,1H3;/q;+1/p-1