4-methyl-3-propyl-benzenesulfonate

Systemtic Name: 4-methyl-3-propyl-benzenesulfonate Openeye Name: 4-methyl-3-propyl-benzenesulfonate CAS Name: 4-methyl-3-propylbenzenesulfonate IUPAC Name: 4-methyl-3-propylbenzenesulfonate Traditional Name: 4-methyl-3-propyl-besylate Formula: C10H13O3S- MolecularWeight: 213.27342

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)S(=O)(=O)[O-])C

Isomeric SMILES

CCCC1=C(C=CC(=C1)S(=O)(=O)[O-])C

InChI

InChI=1S/C10H14O3S/c1-3-4-9-7-10(14(11,12)13)6-5-8(9)2/h5-7H,3-4H2,1-2H3,(H,11,12,13)/p-1