2-[(E)-but-1-en-3-ynyl]sulfanylbenzoic acid

Systemtic Name: 2-[(E)-but-1-en-3-ynyl]sulfanylbenzoic acid Openeye Name: 2-[(E)-but-1-en-3-ynyl]sulfanylbenzoic acid CAS Name: 2-[[(E)-but-1-en-3-ynyl]thio]benzoic acid IUPAC Name: 2-[(E)-but-1-en-3-ynyl]sulfanylbenzoic acid Traditional Name: 2-[[(E)-but-1-en-3-ynyl]thio]benzoic acid Formula: C11H8O2S MolecularWeight: 204.24502

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Descriptors Computed from Structure

Canonical SMILES:

C#CC=CSC1=CC=CC=C1C(=O)O

Isomeric SMILES

C#C/C=C/SC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C11H8O2S/c1-2-3-8-14-10-7-5-4-6-9(10)11(12)13/h1,3-8H,(H,12,13)/b8-3+