4-phenyl-3-prop-2-ynoxy-butanethioic S-acid

Systemtic Name: 4-phenyl-3-prop-2-ynoxy-butanethioic S-acid Openeye Name: 4-phenyl-3-prop-2-ynoxy-butanethioic S-acid CAS Name: 4-phenyl-3-prop-2-ynoxybutanethioic S-acid IUPAC Name: 4-phenyl-3-prop-2-ynoxybutanethioic S-acid Traditional Name: 4-phenyl-3-propargyloxy-thiobutyric acid Formula: C13H14O2S MolecularWeight: 234.31406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCOC(CC1=CC=CC=C1)CC(=O)S

Isomeric SMILES

C#CCOC(CC1=CC=CC=C1)CC(=O)S

InChI

InChI=1S/C13H14O2S/c1-2-8-15-12(10-13(14)16)9-11-6-4-3-5-7-11/h1,3-7,12H,8-10H2,(H,14,16)