2-[(E)-but-1-enyl]-3,4-dimethyl-benzenesulfonic acid

Systemtic Name: 2-[(E)-but-1-enyl]-3,4-dimethyl-benzenesulfonic acid Openeye Name: 2-[(E)-but-1-enyl]-3,4-dimethyl-benzenesulfonic acid CAS Name: 2-[(E)-but-1-enyl]-3,4-dimethylbenzenesulfonic acid IUPAC Name: 2-[(E)-but-1-enyl]-3,4-dimethylbenzenesulfonic acid Traditional Name: 2-[(E)-but-1-enyl]-3,4-dimethyl-besylic acid Formula: C12H16O3S MolecularWeight: 240.31864

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CC1=C(C=CC(=C1C)C)S(=O)(=O)O

Isomeric SMILES

CC/C=C/C1=C(C=CC(=C1C)C)S(=O)(=O)O

InChI

InChI=1S/C12H16O3S/c1-4-5-6-11-10(3)9(2)7-8-12(11)16(13,14)15/h5-8H,4H2,1-3H3,(H,13,14,15)/b6-5+