4-methyl-3-phenyl-2-prop-1-ynyl-benzenesulfonic acid

Systemtic Name: 4-methyl-3-phenyl-2-prop-1-ynyl-benzenesulfonic acid Openeye Name: 4-methyl-3-phenyl-2-prop-1-ynyl-benzenesulfonic acid CAS Name: 4-methyl-3-phenyl-2-prop-1-ynylbenzenesulfonic acid IUPAC Name: 4-methyl-3-phenyl-2-prop-1-ynylbenzenesulfonic acid Traditional Name: 4-methyl-3-phenyl-2-prop-1-ynyl-besylic acid Formula: C16H14O3S MolecularWeight: 286.34556

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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)