sodium 4-hexadecoxy-4-sulfanylidene-butanethioate

Systemtic Name: sodium 4-hexadecoxy-4-sulfanylidene-butanethioate Openeye Name: sodium 4-hexadecoxy-4-thioxo-butanethioate CAS Name: sodium 4-hexadecoxy-4-sulfanylidenebutanethioate IUPAC Name: sodium 4-hexadecoxy-4-sulfanylidenebutanethioate Traditional Name: sodium 4-cetyloxy-4-thioxo-thiobutyrate Formula: C20H37NaO2S2 MolecularWeight: 396.62635

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=S)CCC(=S)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=S)CCC(=S)[O-].[Na+]

InChI

InChI=1S/C20H38O2S2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-20(24)17-16-19(21)23;/h2-18H2,1H3,(H,21,23);/q;+1/p-1