sodium 15,15-bis(dodecoxymethyl)-1,4,7,10,13-pentaoxacyclohexadecane isothiocyanate

Systemtic Name: sodium 15,15-bis(dodecoxymethyl)-1,4,7,10,13-pentaoxacyclohexadecane isothiocyanate Openeye Name: sodium 15,15-bis(dodecoxymethyl)-1,4,7,10,13-pentaoxacyclohexadecane isothiocyanate CAS Name: sodium 15,15-bis(dodecoxymethyl)-1,4,7,10,13-pentaoxacyclohexadecane isothiocyanate IUPAC Name: sodium 15,15-bis(dodecoxymethyl)-1,4,7,10,13-pentaoxacyclohexadecane isothiocyanate Traditional Name: sodium 15,15-bis(lauryloxymethyl)-1,4,7,10,13-pentaoxacyclohexadecane isothiocyanate Formula: C38H74NNaO7S MolecularWeight: 712.05143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCC1(COCCOCCOCCOCCOC1)COCCCCCCCCCCCC.C(=[N-])=S.[Na+]

Isomeric SMILES

CCCCCCCCCCCCOCC1(COCCOCCOCCOCCOC1)COCCCCCCCCCCCC.C(=[N-])=S.[Na+]

InChI

InChI=1S/C37H74O7.CNS.Na/c1-3-5-7-9-11-13-15-17-19-21-23-41-33-37(34-42-24-22-20-18-16-14-12-10-8-6-4-2)35-43-31-29-39-27-25-38-26-28-40-30-32-44-36-37;2-1-3;/h3-36H2,1-2H3;;/q;-1;+1