S-phenyl 2,2-dimethyl-3-nitrooxy-propanethioate

Systemtic Name: S-phenyl 2,2-dimethyl-3-nitrooxy-propanethioate Openeye Name: S-phenyl 2,2-dimethyl-3-nitrooxy-propanethioate CAS Name: 2,2-dimethyl-3-nitrooxypropanethioic acid S-phenyl ester IUPAC Name: S-phenyl 2,2-dimethyl-3-nitrooxypropanethioate Traditional Name: 2,2-dimethyl-3-nitrooxy-propanethioic acid S-phenyl ester Formula: C11H13NO4S MolecularWeight: 255.29022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO4S/c1-11(2,8-16-12(14)15)10(13)17-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3