but-1-yne; 2-methylbenzenesulfonic acid

Systemtic Name: but-1-yne; 2-methylbenzenesulfonic acid Openeye Name: but-1-yne; 2-methylbenzenesulfonic acid CAS Name: 1-butyne; 2-methylbenzenesulfonic acid IUPAC Name: but-1-yne; 2-methylbenzenesulfonic acid Traditional Name: but-1-yne; 2-methylbesylic acid Formula: C11H14O3S MolecularWeight: 226.29206

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Descriptors Computed from Structure

Canonical SMILES:

CCC#C.CC1=CC=CC=C1S(=O)(=O)O

Isomeric SMILES

CCC#C.CC1=CC=CC=C1S(=O)(=O)O

InChI

InChI=1S/C7H8O3S.C4H6/c1-6-4-2-3-5-7(6)11(8,9)10;1-3-4-2/h2-5H,1H3,(H,8,9,10);1H,4H2,2H3