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

Systemtic Name: 4-[1-(4-methylphenyl)sulfanyl-2-nitro-ethyl]phenol Openeye Name: 4-[2-nitro-1-(p-tolylsulfanyl)ethyl]phenol CAS Name: 4-[1-[(4-methylphenyl)thio]-2-nitroethyl]phenol IUPAC Name: 4-[1-(4-methylphenyl)sulfanyl-2-nitroethyl]phenol Traditional Name: 4-[2-nitro-1-(p-tolylthio)ethyl]phenol Formula: C15H15NO3S MolecularWeight: 289.3495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C[N+](=O)[O-])C2=CC=C(C=C2)O

Isomeric SMILES

CC1=CC=C(C=C1)SC(C[N+](=O)[O-])C2=CC=C(C=C2)O

InChI

InChI=1S/C15H15NO3S/c1-11-2-8-14(9-3-11)20-15(10-16(18)19)12-4-6-13(17)7-5-12/h2-9,15,17H,10H2,1H3