4-prop-2-ynylsulfanylbenzoic acid

Systemtic Name: 4-prop-2-ynylsulfanylbenzoic acid Openeye Name: 4-prop-2-ynylsulfanylbenzoic acid CAS Name: 4-(prop-2-ynylthio)benzoic acid IUPAC Name: 4-prop-2-ynylsulfanylbenzoic acid Traditional Name: 4-(propargylthio)benzoic acid Formula: C10H8O2S MolecularWeight: 192.23432

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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)