4-[1-(4-chlorophenyl)sulfanyl-2-nitro-ethyl]phenol

Systemtic Name: 4-[1-(4-chlorophenyl)sulfanyl-2-nitro-ethyl]phenol Openeye Name: 4-[1-(4-chlorophenyl)sulfanyl-2-nitro-ethyl]phenol CAS Name: 4-[1-[(4-chlorophenyl)thio]-2-nitroethyl]phenol IUPAC Name: 4-[1-(4-chlorophenyl)sulfanyl-2-nitroethyl]phenol Traditional Name: 4-[1-[(4-chlorophenyl)thio]-2-nitro-ethyl]phenol Formula: C14H12ClNO3S MolecularWeight: 309.76798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C[N+](=O)[O-])SC2=CC=C(C=C2)Cl)O

Isomeric SMILES

C1=CC(=CC=C1C(C[N+](=O)[O-])SC2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C14H12ClNO3S/c15-11-3-7-13(8-4-11)20-14(9-16(18)19)10-1-5-12(17)6-2-10/h1-8,14,17H,9H2