S-(4-nitrophenyl) icosanethioate

Systemtic Name: S-(4-nitrophenyl) icosanethioate Openeye Name: S-(4-nitrophenyl) icosanethioate CAS Name: eicosanethioic acid S-(4-nitrophenyl) ester IUPAC Name: S-(4-nitrophenyl) icosanethioate Traditional Name: eicosanethioic acid S-(4-nitrophenyl) ester Formula: C26H43NO3S MolecularWeight: 449.68952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)SC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)SC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C26H43NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(28)31-25-22-20-24(21-23-25)27(29)30/h20-23H,2-19H2,1H3