S-[6-(4-chloranyl-2-nitro-phenyl)hexyl] ethanethioate

Systemtic Name: S-[6-(4-chloranyl-2-nitro-phenyl)hexyl] ethanethioate Openeye Name: S-[6-(4-chloro-2-nitro-phenyl)hexyl] ethanethioate CAS Name: ethanethioic acid S-[6-(4-chloro-2-nitrophenyl)hexyl] ester IUPAC Name: S-[6-(4-chloro-2-nitrophenyl)hexyl] ethanethioate Traditional Name: ethanethioic acid S-[6-(4-chloro-2-nitro-phenyl)hexyl] ester Formula: C14H18ClNO3S MolecularWeight: 315.81562

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCCCCC1=C(C=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)SCCCCCCC1=C(C=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H18ClNO3S/c1-11(17)20-9-5-3-2-4-6-12-7-8-13(15)10-14(12)16(18)19/h7-8,10H,2-6,9H2,1H3