methyl 3-[3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]sulfanylpropanoate Openeye Name: methyl 3-(3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanylpropanoate CAS Name: 3-[(3,6-dioxo-1-cyclohexa-1,4-dienyl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanylpropanoate Traditional Name: 3-[(3,6-diketocyclohexa-1,4-dien-1-yl)thio]propionic acid methyl ester Formula: C10H10O4S MolecularWeight: 226.249

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=CC(=O)C=CC1=O

Isomeric SMILES

COC(=O)CCSC1=CC(=O)C=CC1=O

InChI

InChI=1S/C10H10O4S/c1-14-10(13)4-5-15-9-6-7(11)2-3-8(9)12/h2-3,6H,4-5H2,1H3