[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-methyl-4-nitro-benzoate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C18H17NO5S2 MolecularWeight: 391.46128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC2=C(C=C(C=C2)C3SCCS3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC2=C(C=C(C=C2)C3SCCS3)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H17NO5S2/c1-11-9-12(3-5-14(11)19(21)22)17(20)24-15-6-4-13(10-16(15)23-2)18-25-7-8-26-18/h3-6,9-10,18H,7-8H2,1-2H3