methyl 5-(2-methyl-4-methylsulfanyl-phenoxy)-2-nitro-benzoate

Systemtic Name: methyl 5-(2-methyl-4-methylsulfanyl-phenoxy)-2-nitro-benzoate Openeye Name: methyl 5-(2-methyl-4-methylsulfanyl-phenoxy)-2-nitro-benzoate CAS Name: 5-[2-methyl-4-(methylthio)phenoxy]-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 5-(2-methyl-4-methylsulfanylphenoxy)-2-nitrobenzoate Traditional Name: 5-[2-methyl-4-(methylthio)phenoxy]-2-nitro-benzoic acid methyl ester Formula: C16H15NO5S MolecularWeight: 333.359

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)SC)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C16H15NO5S/c1-10-8-12(23-3)5-7-15(10)22-11-4-6-14(17(19)20)13(9-11)16(18)21-2/h4-9H,1-3H3