4-methyl-2-(3-methylbut-3-enyl)benzenesulfonate

Systemtic Name: 4-methyl-2-(3-methylbut-3-enyl)benzenesulfonate Openeye Name: 4-methyl-2-(3-methylbut-3-enyl)benzenesulfonate CAS Name: 4-methyl-2-(3-methylbut-3-enyl)benzenesulfonate IUPAC Name: 4-methyl-2-(3-methylbut-3-enyl)benzenesulfonate Traditional Name: 4-methyl-2-(3-methylbut-3-enyl)besylate Formula: C12H15O3S- MolecularWeight: 239.3107

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)[O-])CCC(=C)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)[O-])CCC(=C)C

InChI

InChI=1S/C12H16O3S/c1-9(2)4-6-11-8-10(3)5-7-12(11)16(13,14)15/h5,7-8H,1,4,6H2,2-3H3,(H,13,14,15)/p-1