sodium 4-[[8,9-bis(oxidanyl)-6,11-dioxabicyclo[5.2.2]undecan-10-yl]methylsulfanyl]butanoate

Systemtic Name: sodium 4-[[8,9-bis(oxidanyl)-6,11-dioxabicyclo[5.2.2]undecan-10-yl]methylsulfanyl]butanoate Openeye Name: sodium 4-[(8,9-dihydroxy-6,11-dioxabicyclo[5.2.2]undecan-10-yl)methylsulfanyl]butanoate CAS Name: sodium 4-[(8,9-dihydroxy-6,11-dioxabicyclo[5.2.2]undecan-10-yl)methylthio]butanoate IUPAC Name: sodium 4-[(8,9-dihydroxy-6,11-dioxabicyclo[5.2.2]undecan-10-yl)methylsulfanyl]butanoate Traditional Name: sodium 4-[(8,9-dihydroxy-6,11-dioxabicyclo[5.2.2]undecan-10-yl)methylthio]butyrate Formula: C14H23NaO6S MolecularWeight: 342.38359

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC2C(C(C(C1)C(O2)CSCCCC(=O)[O-])O)O.[Na+]

Isomeric SMILES

C1CCOC2C(C(C(C1)C(O2)CSCCCC(=O)[O-])O)O.[Na+]

InChI

InChI=1S/C14H24O6S.Na/c15-11(16)5-3-7-21-8-10-9-4-1-2-6-19-14(20-10)13(18)12(9)17;/h9-10,12-14,17-18H,1-8H2,(H,15,16);/q;+1/p-1