2-[4,5-bis(methoxycarbonyl)-1,3-dithiolan-2-ylidene]ethanoic acid

Systemtic Name: 2-[4,5-bis(methoxycarbonyl)-1,3-dithiolan-2-ylidene]ethanoic acid Openeye Name: 2-[4,5-bis(methoxycarbonyl)-1,3-dithiolan-2-ylidene]acetic acid CAS Name: 2-[4,5-bis(methoxycarbonyl)-1,3-dithiolan-2-ylidene]acetic acid IUPAC Name: 2-[4,5-bis(methoxycarbonyl)-1,3-dithiolan-2-ylidene]acetic acid Traditional Name: 2-(4,5-dicarbomethoxy-1,3-dithiolan-2-ylidene)acetic acid Formula: C9H10O6S2 MolecularWeight: 278.3021

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(SC(=CC(=O)O)S1)C(=O)OC

Isomeric SMILES

COC(=O)C1C(SC(=CC(=O)O)S1)C(=O)OC

InChI

InChI=1S/C9H10O6S2/c1-14-8(12)6-7(9(13)15-2)17-5(16-6)3-4(10)11/h3,6-7H,1-2H3,(H,10,11)