3-[1,1-bis(oxidanylidene)thian-4-yl]-2-methyl-propanoic acid

Systemtic Name: 3-[1,1-bis(oxidanylidene)thian-4-yl]-2-methyl-propanoic acid Openeye Name: 3-(1,1-dioxothian-4-yl)-2-methyl-propanoic acid CAS Name: 3-(1,1-dioxo-4-thianyl)-2-methylpropanoic acid IUPAC Name: 3-(1,1-dioxothian-4-yl)-2-methylpropanoic acid Traditional Name: 3-(1,1-diketothian-4-yl)-2-methyl-propionic acid Formula: C9H16O4S MolecularWeight: 220.28594

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1CCS(=O)(=O)CC1)C(=O)O

Isomeric SMILES

CC(CC1CCS(=O)(=O)CC1)C(=O)O

InChI

InChI=1S/C9H16O4S/c1-7(9(10)11)6-8-2-4-14(12,13)5-3-8/h7-8H,2-6H2,1H3,(H,10,11)