methyl 4-[3-(oxan-2-yloxy)prop-1-ynylsulfanyl]benzoate

Systemtic Name: methyl 4-[3-(oxan-2-yloxy)prop-1-ynylsulfanyl]benzoate Openeye Name: methyl 4-(3-tetrahydropyran-2-yloxyprop-1-ynylsulfanyl)benzoate CAS Name: 4-[3-(2-oxanyloxy)prop-1-ynylthio]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(oxan-2-yloxy)prop-1-ynylsulfanyl]benzoate Traditional Name: 4-(3-tetrahydropyran-2-yloxyprop-1-ynylthio)benzoic acid methyl ester Formula: C16H18O4S MolecularWeight: 306.37672

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)SC#CCOC2CCCCO2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)SC#CCOC2CCCCO2

InChI

InChI=1S/C16H18O4S/c1-18-16(17)13-6-8-14(9-7-13)21-12-4-11-20-15-5-2-3-10-19-15/h6-9,15H,2-3,5,10-11H2,1H3