methyl 4-oct-1-ynylsulfanylbenzoate

Systemtic Name: methyl 4-oct-1-ynylsulfanylbenzoate Openeye Name: methyl 4-oct-1-ynylsulfanylbenzoate CAS Name: 4-(oct-1-ynylthio)benzoic acid methyl ester IUPAC Name: methyl 4-oct-1-ynylsulfanylbenzoate Traditional Name: 4-(oct-1-ynylthio)benzoic acid methyl ester Formula: C16H20O2S MolecularWeight: 276.3938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CSC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CCCCCCC#CSC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C16H20O2S/c1-3-4-5-6-7-8-13-19-15-11-9-14(10-12-15)16(17)18-2/h9-12H,3-7H2,1-2H3