2-(3-ethynylphenyl)-4-methyl-benzenesulfonic acid

Systemtic Name: 2-(3-ethynylphenyl)-4-methyl-benzenesulfonic acid Openeye Name: 2-(3-ethynylphenyl)-4-methyl-benzenesulfonic acid CAS Name: 2-(3-ethynylphenyl)-4-methylbenzenesulfonic acid IUPAC Name: 2-(3-ethynylphenyl)-4-methylbenzenesulfonic acid Traditional Name: 2-(3-ethynylphenyl)-4-methyl-besylic acid Formula: C15H12O3S MolecularWeight: 272.31898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)O)C2=CC=CC(=C2)C#C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)O)C2=CC=CC(=C2)C#C

InChI

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