4-(3,3-dideuteriobutanoyl)-5-oxidanyl-benzo[g][1,3]benzoxathiol-2-one

Systemtic Name: 4-(3,3-dideuteriobutanoyl)-5-oxidanyl-benzo[g][1,3]benzoxathiol-2-one Openeye Name: 4-(3,3-dideuteriobutanoyl)-5-hydroxy-benzo[g][1,3]benzoxathiol-2-one CAS Name: 4-(3,3-dideuterio-1-oxobutyl)-5-hydroxy-2-benzo[g][1,3]benzoxathiolone IUPAC Name: 4-(3,3-dideuteriobutanoyl)-5-hydroxybenzo[g][1,3]benzoxathiol-2-one Traditional Name: 4-(3,3-dideuteriobutanoyl)-5-hydroxy-benzo[g][1,3]benzoxathiol-2-one Formula: C15H12O4S MolecularWeight: 290.330704

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C2=CC=CC=C2C3=C1SC(=O)O3)O

Isomeric SMILES

[2H]C([2H])(C)CC(=O)C1=C(C2=CC=CC=C2C3=C1SC(=O)O3)O

InChI

InChI=1S/C15H12O4S/c1-2-5-10(16)11-12(17)8-6-3-4-7-9(8)13-14(11)20-15(18)19-13/h3-4,6-7,17H,2,5H2,1H3/i2D2