3-(2,4-dinitro-5-phenylmethoxy-3-phenylmethoxycarbonyl-phenyl)sulfanyl-4-methyl-2-nitro-benzoic acid

Systemtic Name: 3-(2,4-dinitro-5-phenylmethoxy-3-phenylmethoxycarbonyl-phenyl)sulfanyl-4-methyl-2-nitro-benzoic acid Openeye Name: 3-(5-benzyloxy-3-benzyloxycarbonyl-2,4-dinitro-phenyl)sulfanyl-4-methyl-2-nitro-benzoic acid CAS Name: 3-[(2,4-dinitro-5-phenylmethoxy-3-phenylmethoxycarbonylphenyl)thio]-4-methyl-2-nitrobenzoic acid IUPAC Name: 3-(2,4-dinitro-5-phenylmethoxy-3-phenylmethoxycarbonylphenyl)sulfanyl-4-methyl-2-nitrobenzoic acid Traditional Name: 3-[(5-benzoxy-3-carbobenzoxy-2,4-dinitro-phenyl)thio]-4-methyl-2-nitro-benzoic acid Formula: C29H21N3O11S MolecularWeight: 619.55554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(=O)O)[N+](=O)[O-])SC2=C(C(=C(C(=C2)OCC3=CC=CC=C3)[N+](=O)[O-])C(=O)OCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C=C1)C(=O)O)[N+](=O)[O-])SC2=C(C(=C(C(=C2)OCC3=CC=CC=C3)[N+](=O)[O-])C(=O)OCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H21N3O11S/c1-17-12-13-20(28(33)34)24(30(36)37)27(17)44-22-14-21(42-15-18-8-4-2-5-9-18)25(31(38)39)23(26(22)32(40)41)29(35)43-16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3,(H,33,34)