2-(3-tert-butyl-4-methoxysulfanyl-phenoxy)-1-chloranyl-3-methyl-5-nitro-benzene

Systemtic Name: 2-(3-tert-butyl-4-methoxysulfanyl-phenoxy)-1-chloranyl-3-methyl-5-nitro-benzene Openeye Name: 2-(3-tert-butyl-4-methoxysulfanyl-phenoxy)-1-chloro-3-methyl-5-nitro-benzene CAS Name: 2-tert-butyl-4-(2-chloro-6-methyl-4-nitrophenoxy)benzenesulfenic acid methyl ester IUPAC Name: 2-(3-tert-butyl-4-methoxysulfanylphenoxy)-1-chloro-3-methyl-5-nitrobenzene Traditional Name: 2-[3-tert-butyl-4-(methoxythio)phenoxy]-1-chloro-3-methyl-5-nitro-benzene Formula: C18H20ClNO4S MolecularWeight: 381.8737

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)SOC)C(C)(C)C)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)SOC)C(C)(C)C)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H20ClNO4S/c1-11-8-12(20(21)22)9-15(19)17(11)24-13-6-7-16(25-23-5)14(10-13)18(2,3)4/h6-10H,1-5H3