3-[3-[3-oxidanylidene-6-(4-oxidanylidenecyclohexa-1,5-dien-1-yl)sulfonyl-cyclohexa-1,5-dien-1-yl]propanoyloxy]propanoic acid

Systemtic Name: 3-[3-[3-oxidanylidene-6-(4-oxidanylidenecyclohexa-1,5-dien-1-yl)sulfonyl-cyclohexa-1,5-dien-1-yl]propanoyloxy]propanoic acid Openeye Name: 3-[3-[3-oxo-6-(4-oxocyclohexa-1,5-dien-1-yl)sulfonyl-cyclohexa-1,5-dien-1-yl]propanoyloxy]propanoic acid CAS Name: 3-[1-oxo-3-[3-oxo-6-[(4-oxo-1-cyclohexa-1,5-dienyl)sulfonyl]-1-cyclohexa-1,5-dienyl]propoxy]propanoic acid IUPAC Name: 3-[3-[3-oxo-6-(4-oxocyclohexa-1,5-dien-1-yl)sulfonylcyclohexa-1,5-dien-1-yl]propanoyloxy]propanoic acid Traditional Name: 3-[3-[3-keto-6-(4-ketocyclohexa-1,5-dien-1-yl)sulfonyl-cyclohexa-1,5-dien-1-yl]propanoyloxy]propionic acid Formula: C18H18O8S MolecularWeight: 394.39572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C=CC1=O)S(=O)(=O)C2=CCC(=O)C=C2CCC(=O)OCCC(=O)O

Isomeric SMILES

C1C=C(C=CC1=O)S(=O)(=O)C2=CCC(=O)C=C2CCC(=O)OCCC(=O)O

InChI

InChI=1S/C18H18O8S/c19-13-2-5-15(6-3-13)27(24,25)16-7-4-14(20)11-12(16)1-8-18(23)26-10-9-17(21)22/h2,5-7,11H,1,3-4,8-10H2,(H,21,22)