3-butoxy-4-(3-methylsulfonylpropylamino)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-butoxy-4-(3-methylsulfonylpropylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-butoxy-4-(3-methylsulfonylpropylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-butoxy-4-(3-methylsulfonylpropylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-butoxy-4-(3-methylsulfonylpropylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-butoxy-4-(3-mesylpropylamino)cyclobut-3-ene-1,2-quinone Formula: C12H19NO5S MolecularWeight: 289.34796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=O)C1=O)NCCCS(=O)(=O)C

Isomeric SMILES

CCCCOC1=C(C(=O)C1=O)NCCCS(=O)(=O)C

InChI

InChI=1S/C12H19NO5S/c1-3-4-7-18-12-9(10(14)11(12)15)13-6-5-8-19(2,16)17/h13H,3-8H2,1-2H3