3-[10-methyl-2,7-bis(oxidanylidene)oxecan-5-yl]sulfanyl-2-oxidanyl-propanoic acid

Systemtic Name: 3-[10-methyl-2,7-bis(oxidanylidene)oxecan-5-yl]sulfanyl-2-oxidanyl-propanoic acid Openeye Name: 2-hydroxy-3-(10-methyl-2,7-dioxo-oxecan-5-yl)sulfanyl-propanoic acid CAS Name: 2-hydroxy-3-[(10-methyl-2,7-dioxo-5-oxecanyl)thio]propanoic acid IUPAC Name: 2-hydroxy-3-(10-methyl-2,7-dioxooxecan-5-yl)sulfanylpropanoic acid Traditional Name: 3-[(2,7-diketo-10-methyl-oxecan-5-yl)thio]-2-hydroxy-propionic acid Formula: C13H20O6S MolecularWeight: 304.3593

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(=O)CC(CCC(=O)O1)SCC(C(=O)O)O

Isomeric SMILES

CC1CCC(=O)CC(CCC(=O)O1)SCC(C(=O)O)O

InChI

InChI=1S/C13H20O6S/c1-8-2-3-9(14)6-10(4-5-12(16)19-8)20-7-11(15)13(17)18/h8,10-11,15H,2-7H2,1H3,(H,17,18)