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

Systemtic Name: 4-methyl-3-(2-methyl-4,6-dinitro-3-phenylmethoxy-5-phenylmethoxycarbonyl-phenyl)sulfanyl-2-nitro-benzoic acid Openeye Name: 3-(3-benzyloxy-5-benzyloxycarbonyl-2-methyl-4,6-dinitro-phenyl)sulfanyl-4-methyl-2-nitro-benzoic acid CAS Name: 4-methyl-3-[(2-methyl-4,6-dinitro-3-phenylmethoxy-5-phenylmethoxycarbonylphenyl)thio]-2-nitrobenzoic acid IUPAC Name: 4-methyl-3-(2-methyl-4,6-dinitro-3-phenylmethoxy-5-phenylmethoxycarbonylphenyl)sulfanyl-2-nitrobenzoic acid Traditional Name: 3-[(3-benzoxy-5-carbobenzoxy-2-methyl-4,6-dinitro-phenyl)thio]-4-methyl-2-nitro-benzoic acid Formula: C30H23N3O11S MolecularWeight: 633.58212

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(=C2C)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(=C2C)OCC3=CC=CC=C3)[N+](=O)[O-])C(=O)OCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C30H23N3O11S/c1-17-13-14-21(29(34)35)23(31(37)38)27(17)45-28-18(2)26(43-15-19-9-5-3-6-10-19)24(32(39)40)22(25(28)33(41)42)30(36)44-16-20-11-7-4-8-12-20/h3-14H,15-16H2,1-2H3,(H,34,35)