2-cyclohexylethyl 2-hexoxy-3-nitro-5-(trioxidanylsulfanyl)benzoate

Systemtic Name: 2-cyclohexylethyl 2-hexoxy-3-nitro-5-(trioxidanylsulfanyl)benzoate Openeye Name: 2-cyclohexylethyl 2-hexoxy-3-nitro-5-(trioxidanylsulfanyl)benzoate CAS Name: 2-hexoxy-3-nitro-5-(trioxidanylthio)benzoic acid 2-cyclohexylethyl ester IUPAC Name: 2-cyclohexylethyl 2-hexoxy-3-nitro-5-(trioxidanylsulfanyl)benzoate Traditional Name: 2-hexoxy-3-nitro-5-(trioxidanylthio)benzoic acid 2-cyclohexylethyl ester Formula: C21H31NO8S MolecularWeight: 457.53774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1C(=O)OCCC2CCCCC2)SOOO)[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1C(=O)OCCC2CCCCC2)SOOO)[N+](=O)[O-]

InChI

InChI=1S/C21H31NO8S/c1-2-3-4-8-12-27-20-18(14-17(31-30-29-26)15-19(20)22(24)25)21(23)28-13-11-16-9-6-5-7-10-16/h14-16,26H,2-13H2,1H3