5-(1,2-benzodioxin-6-yl)-3-(2-tert-butylphenyl)sulfanyl-2-oxidanyl-pyran-4-one

Systemtic Name: 5-(1,2-benzodioxin-6-yl)-3-(2-tert-butylphenyl)sulfanyl-2-oxidanyl-pyran-4-one Openeye Name: 5-(1,2-benzodioxin-6-yl)-3-(2-tert-butylphenyl)sulfanyl-2-hydroxy-pyran-4-one CAS Name: 5-(1,2-benzodioxin-6-yl)-3-[(2-tert-butylphenyl)thio]-2-hydroxy-4-pyranone IUPAC Name: 5-(1,2-benzodioxin-6-yl)-3-(2-tert-butylphenyl)sulfanyl-2-hydroxypyran-4-one Traditional Name: 5-(1,2-benzodioxin-6-yl)-3-[(2-tert-butylphenyl)thio]-2-hydroxy-pyran-4-one Formula: C23H20O5S MolecularWeight: 408.4669

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1SC2=C(OC=C(C2=O)C3=CC4=C(C=C3)OOC=C4)O

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1SC2=C(OC=C(C2=O)C3=CC4=C(C=C3)OOC=C4)O

InChI

InChI=1S/C23H20O5S/c1-23(2,3)17-6-4-5-7-19(17)29-21-20(24)16(13-26-22(21)25)14-8-9-18-15(12-14)10-11-27-28-18/h4-13,25H,1-3H3