S-(4-nitrophenyl) 4-methylpent-3-enethioate

Systemtic Name: S-(4-nitrophenyl) 4-methylpent-3-enethioate Openeye Name: S-(4-nitrophenyl) 4-methylpent-3-enethioate CAS Name: 4-methyl-3-pentenethioic acid S-(4-nitrophenyl) ester IUPAC Name: S-(4-nitrophenyl) 4-methylpent-3-enethioate Traditional Name: 4-methylpent-3-enethioic acid S-(4-nitrophenyl) ester Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO3S/c1-9(2)3-8-12(14)17-11-6-4-10(5-7-11)13(15)16/h3-7H,8H2,1-2H3