3-(3-methoxy-5-methoxycarbonyl-2-methyl-4,6-dinitro-phenyl)sulfanyl-4-methyl-2-nitro-benzoic acid

Systemtic Name: 3-(3-methoxy-5-methoxycarbonyl-2-methyl-4,6-dinitro-phenyl)sulfanyl-4-methyl-2-nitro-benzoic acid Openeye Name: 3-(3-methoxy-5-methoxycarbonyl-2-methyl-4,6-dinitro-phenyl)sulfanyl-4-methyl-2-nitro-benzoic acid CAS Name: 3-[(3-methoxy-5-methoxycarbonyl-2-methyl-4,6-dinitrophenyl)thio]-4-methyl-2-nitrobenzoic acid IUPAC Name: 3-(3-methoxy-5-methoxycarbonyl-2-methyl-4,6-dinitrophenyl)sulfanyl-4-methyl-2-nitrobenzoic acid Traditional Name: 3-[(5-carbomethoxy-3-methoxy-2-methyl-4,6-dinitro-phenyl)thio]-4-methyl-2-nitro-benzoic acid Formula: C18H15N3O11S MolecularWeight: 481.3902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(=O)O)[N+](=O)[O-])SC2=C(C(=C(C(=C2C)OC)[N+](=O)[O-])C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C=C1)C(=O)O)[N+](=O)[O-])SC2=C(C(=C(C(=C2C)OC)[N+](=O)[O-])C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O11S/c1-7-5-6-9(17(22)23)11(19(25)26)15(7)33-16-8(2)14(31-3)12(20(27)28)10(18(24)32-4)13(16)21(29)30/h5-6H,1-4H3,(H,22,23)