sodium 3-[[8,9-bis(oxidanyl)-6,11-dioxabicyclo[5.2.2]undecan-10-yl]methylsulfanyl]-2-methyl-propanoate

Systemtic Name: sodium 3-[[8,9-bis(oxidanyl)-6,11-dioxabicyclo[5.2.2]undecan-10-yl]methylsulfanyl]-2-methyl-propanoate Openeye Name: sodium 3-[(8,9-dihydroxy-6,11-dioxabicyclo[5.2.2]undecan-10-yl)methylsulfanyl]-2-methyl-propanoate CAS Name: sodium 3-[(8,9-dihydroxy-6,11-dioxabicyclo[5.2.2]undecan-10-yl)methylthio]-2-methylpropanoate IUPAC Name: sodium 3-[(8,9-dihydroxy-6,11-dioxabicyclo[5.2.2]undecan-10-yl)methylsulfanyl]-2-methylpropanoate Traditional Name: sodium 3-[(8,9-dihydroxy-6,11-dioxabicyclo[5.2.2]undecan-10-yl)methylthio]-2-methyl-propionate Formula: C14H23NaO6S MolecularWeight: 342.38359

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CSCC1C2CCCCOC(O1)C(C2O)O)C(=O)[O-].[Na+]

Isomeric SMILES

CC(CSCC1C2CCCCOC(O1)C(C2O)O)C(=O)[O-].[Na+]

InChI

InChI=1S/C14H24O6S.Na/c1-8(13(17)18)6-21-7-10-9-4-2-3-5-19-14(20-10)12(16)11(9)15;/h8-12,14-16H,2-7H2,1H3,(H,17,18);/q;+1/p-1