3-(3-ethynylphenyl)-4-methyl-benzenesulfonate

Systemtic Name: 3-(3-ethynylphenyl)-4-methyl-benzenesulfonate Openeye Name: 3-(3-ethynylphenyl)-4-methyl-benzenesulfonate CAS Name: 3-(3-ethynylphenyl)-4-methylbenzenesulfonate IUPAC Name: 3-(3-ethynylphenyl)-4-methylbenzenesulfonate Traditional Name: 3-(3-ethynylphenyl)-4-methyl-besylate Formula: C15H11O3S- MolecularWeight: 271.31104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)[O-])C2=CC=CC(=C2)C#C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)[O-])C2=CC=CC(=C2)C#C

InChI

InChI=1S/C15H12O3S/c1-3-12-5-4-6-13(9-12)15-10-14(19(16,17)18)8-7-11(15)2/h1,4-10H,2H3,(H,16,17,18)/p-1