4-prop-2-ynylsulfanylbenzoate

Systemtic Name: 4-prop-2-ynylsulfanylbenzoate Openeye Name: 4-prop-2-ynylsulfanylbenzoate CAS Name: 4-(prop-2-ynylthio)benzoate IUPAC Name: 4-prop-2-ynylsulfanylbenzoate Traditional Name: 4-(propargylthio)benzoate Formula: C10H7O2S- MolecularWeight: 191.22638

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

C#CCSC1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C10H8O2S/c1-2-7-13-9-5-3-8(4-6-9)10(11)12/h1,3-6H,7H2,(H,11,12)/p-1