2-[3-(1-carbonochloridoyloxyethyl)-4-nitro-phenyl]propanethioic S-acid

Systemtic Name: 2-[3-(1-carbonochloridoyloxyethyl)-4-nitro-phenyl]propanethioic S-acid Openeye Name: 2-[3-(1-chlorocarbonyloxyethyl)-4-nitro-phenyl]propanethioic S-acid CAS Name: 2-[3-(1-carbonochloridoyloxyethyl)-4-nitrophenyl]propanethioic S-acid IUPAC Name: 2-[3-(1-carbonochloridoyloxyethyl)-4-nitrophenyl]propanethioic S-acid Traditional Name: 2-[3-(1-chlorocarbonyloxyethyl)-4-nitro-phenyl]thiopropionic acid Formula: C12H12ClNO5S MolecularWeight: 317.74538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)[N+](=O)[O-])C(C)OC(=O)Cl)C(=O)S

Isomeric SMILES

CC(C1=CC(=C(C=C1)[N+](=O)[O-])C(C)OC(=O)Cl)C(=O)S

InChI

InChI=1S/C12H12ClNO5S/c1-6(11(15)20)8-3-4-10(14(17)18)9(5-8)7(2)19-12(13)16/h3-7H,1-2H3,(H,15,20)