3-(6-methyl-4-sulfanylidene-cyclohexa-1,5-dien-1-yl)propanoate

Systemtic Name: 3-(6-methyl-4-sulfanylidene-cyclohexa-1,5-dien-1-yl)propanoate Openeye Name: 3-(6-methyl-4-thioxo-cyclohexa-1,5-dien-1-yl)propanoate CAS Name: 3-(6-methyl-4-sulfanylidene-1-cyclohexa-1,5-dienyl)propanoate IUPAC Name: 3-(6-methyl-4-sulfanylidenecyclohexa-1,5-dien-1-yl)propanoate Traditional Name: 3-(6-methyl-4-thioxo-cyclohexa-1,5-dien-1-yl)propionate Formula: C10H11O2S- MolecularWeight: 195.25814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=S)CC=C1CCC(=O)[O-]

Isomeric SMILES

CC1=CC(=S)CC=C1CCC(=O)[O-]

InChI

InChI=1S/C10H12O2S/c1-7-6-9(13)4-2-8(7)3-5-10(11)12/h2,6H,3-5H2,1H3,(H,11,12)/p-1