3-(2,4,5-trimethylphenyl)prop-2-ynyl methanesulfonate

Systemtic Name: 3-(2,4,5-trimethylphenyl)prop-2-ynyl methanesulfonate Openeye Name: 3-(2,4,5-trimethylphenyl)prop-2-ynyl methanesulfonate CAS Name: methanesulfonic acid 3-(2,4,5-trimethylphenyl)prop-2-ynyl ester IUPAC Name: 3-(2,4,5-trimethylphenyl)prop-2-ynyl methanesulfonate Traditional Name: methanesulfonic acid 3-(2,4,5-trimethylphenyl)prop-2-ynyl ester Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C#CCOS(=O)(=O)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C#CCOS(=O)(=O)C)C)C

InChI

InChI=1S/C13H16O3S/c1-10-8-12(3)13(9-11(10)2)6-5-7-16-17(4,14)15/h8-9H,7H2,1-4H3