4-[3-(phenoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]butanethioic S-acid

Systemtic Name: 4-[3-(phenoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]butanethioic S-acid Openeye Name: 4-[3-(phenoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]butanethioic S-acid CAS Name: 4-[3-(phenoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]butanethioic S-acid IUPAC Name: 4-[3-(phenoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]butanethioic S-acid Traditional Name: 4-[3-(phenoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]thiobutyric acid Formula: C17H22O3S MolecularWeight: 306.41978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C(C1O2)CCCC(=O)S)COC3=CC=CC=C3

Isomeric SMILES

C1CC2C(C(C1O2)CCCC(=O)S)COC3=CC=CC=C3

InChI

InChI=1S/C17H22O3S/c18-17(21)8-4-7-13-14(16-10-9-15(13)20-16)11-19-12-5-2-1-3-6-12/h1-3,5-6,13-16H,4,7-11H2,(H,18,21)