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

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

Systemtic Name:2-methoxy-4-[1-(4-methylphenyl)sulfanyl-2-nitro-ethyl]phenol
Openeye Name:2-methoxy-4-[2-nitro-1-(p-tolylsulfanyl)ethyl]phenol
CAS Name:2-methoxy-4-[1-[(4-methylphenyl)thio]-2-nitroethyl]phenol
IUPAC Name:2-methoxy-4-[1-(4-methylphenyl)sulfanyl-2-nitroethyl]phenol
Traditional Name:2-methoxy-4-[2-nitro-1-(p-tolylthio)ethyl]phenol
Formula: C16H17NO4S
MolecularWeight: 319.37548
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C16H17NO4S/c1-11-3-6-13(7-4-11)22-16(10-17(19)20)12-5-8-14(18)15(9-12)21-2/h3-9,16,18H,10H2,1-2H3


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