but-2-yne-1,4-diol; 4-methyl-N-(oxidanylidenemethylidene)benzenesulfonamide

Systemtic Name: but-2-yne-1,4-diol; 4-methyl-N-(oxidanylidenemethylidene)benzenesulfonamide Openeye Name: but-2-yne-1,4-diol; 4-methyl-N-(oxomethylene)benzenesulfonamide CAS Name: 2-butyne-1,4-diol; 4-methyl-N-(oxomethylidene)benzenesulfonamide IUPAC Name: but-2-yne-1,4-diol; 4-methyl-N-(oxomethylidene)benzenesulfonamide Traditional Name: but-2-yne-1,4-diol; N-(ketomethylene)-4-methyl-benzenesulfonamide Formula: C12H13NO5S MolecularWeight: 283.30032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C=O.C(C#CCO)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N=C=O.C(C#CCO)O

InChI

InChI=1S/C8H7NO3S.C4H6O2/c1-7-2-4-8(5-3-7)13(11,12)9-6-10;5-3-1-2-4-6/h2-5H,1H3;5-6H,3-4H2