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methyl 5-(phenylsulfinyl)pent-2-ynoate

methyl 5-(phenylsulfinyl)pent-2-ynoate

Systemtic Name:methyl 5-(phenylsulfinyl)pent-2-ynoate
Openeye Name:methyl 5-(benzenesulfinyl)pent-2-ynoate
CAS Name:5-(benzenesulfinyl)-2-pentynoic acid methyl ester
IUPAC Name:methyl 5-(benzenesulfinyl)pent-2-ynoate
Traditional Name:5-(benzenesulfinyl)pent-2-ynoic acid methyl ester
Formula: C12H12O3S
MolecularWeight: 236.28688
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C#CCCS(=O)C1=CC=CC=C1


Isomeric SMILES

COC(=O)C#CCCS(=O)C1=CC=CC=C1


InChI

InChI=1S/C12H12O3S/c1-15-12(13)9-5-6-10-16(14)11-7-3-2-4-8-11/h2-4,7-8H,6,10H2,1H3


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