4-methyl-3-phenyl-2-prop-1-ynyl-benzenesulfonate

Systemtic Name: 4-methyl-3-phenyl-2-prop-1-ynyl-benzenesulfonate Openeye Name: 4-methyl-3-phenyl-2-prop-1-ynyl-benzenesulfonate CAS Name: 4-methyl-3-phenyl-2-prop-1-ynylbenzenesulfonate IUPAC Name: 4-methyl-3-phenyl-2-prop-1-ynylbenzenesulfonate Traditional Name: 4-methyl-3-phenyl-2-prop-1-ynyl-besylate Formula: C16H13O3S- MolecularWeight: 285.33762

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=C(C=CC(=C1C2=CC=CC=C2)C)S(=O)(=O)[O-]

Isomeric SMILES

CC#CC1=C(C=CC(=C1C2=CC=CC=C2)C)S(=O)(=O)[O-]

InChI

InChI=1S/C16H14O3S/c1-3-7-14-15(20(17,18)19)11-10-12(2)16(14)13-8-5-4-6-9-13/h4-6,8-11H,1-2H3,(H,17,18,19)/p-1