2-(4-methyl-1,3-thiazol-5-yl)ethyl 2-(2,3-dinitrooxypropyldisulfanyl)benzoate

Systemtic Name: 2-(4-methyl-1,3-thiazol-5-yl)ethyl 2-(2,3-dinitrooxypropyldisulfanyl)benzoate Openeye Name: 2-(4-methylthiazol-5-yl)ethyl 2-(2,3-dinitrooxypropyldisulfanyl)benzoate CAS Name: 2-(2,3-dinitrooxypropyldisulfanyl)benzoic acid 2-(4-methyl-5-thiazolyl)ethyl ester IUPAC Name: 2-(4-methyl-1,3-thiazol-5-yl)ethyl 2-(2,3-dinitrooxypropyldisulfanyl)benzoate Traditional Name: 2-(2,3-dinitrooxypropyldisulfanyl)benzoic acid 2-(4-methylthiazol-5-yl)ethyl ester Formula: C16H17N3O8S3 MolecularWeight: 475.51648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=N1)CCOC(=O)C2=CC=CC=C2SSCC(CO[N+](=O)[O-])O[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC=N1)CCOC(=O)C2=CC=CC=C2SSCC(CO[N+](=O)[O-])O[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O8S3/c1-11-14(28-10-17-11)6-7-25-16(20)13-4-2-3-5-15(13)30-29-9-12(27-19(23)24)8-26-18(21)22/h2-5,10,12H,6-9H2,1H3