methyl 7-(3,3-dimethylbut-1-ynylsulfinyl)hept-2-ynoate

Systemtic Name: methyl 7-(3,3-dimethylbut-1-ynylsulfinyl)hept-2-ynoate Openeye Name: methyl 7-(3,3-dimethylbut-1-ynylsulfinyl)hept-2-ynoate CAS Name: 7-(3,3-dimethylbut-1-ynylsulfinyl)-2-heptynoic acid methyl ester IUPAC Name: methyl 7-(3,3-dimethylbut-1-ynylsulfinyl)hept-2-ynoate Traditional Name: 7-(3,3-dimethylbut-1-ynylsulfinyl)hept-2-ynoic acid methyl ester Formula: C14H20O3S MolecularWeight: 268.3718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CS(=O)CCCCC#CC(=O)OC

Isomeric SMILES

CC(C)(C)C#CS(=O)CCCCC#CC(=O)OC

InChI

InChI=1S/C14H20O3S/c1-14(2,3)10-12-18(16)11-8-6-5-7-9-13(15)17-4/h5-6,8,11H2,1-4H3