2-[(E)-but-1-enyl]-3-methyl-benzenesulfonate

Systemtic Name: 2-[(E)-but-1-enyl]-3-methyl-benzenesulfonate Openeye Name: 2-[(E)-but-1-enyl]-3-methyl-benzenesulfonate CAS Name: 2-[(E)-but-1-enyl]-3-methylbenzenesulfonate IUPAC Name: 2-[(E)-but-1-enyl]-3-methylbenzenesulfonate Traditional Name: 2-[(E)-but-1-enyl]-3-methyl-besylate Formula: C11H13O3S- MolecularWeight: 225.28412

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CC1=C(C=CC=C1S(=O)(=O)[O-])C

Isomeric SMILES

CC/C=C/C1=C(C=CC=C1S(=O)(=O)[O-])C

InChI

InChI=1S/C11H14O3S/c1-3-4-7-10-9(2)6-5-8-11(10)15(12,13)14/h4-8H,3H2,1-2H3,(H,12,13,14)/p-1/b7-4+