12-[[5-nitro-2-(5-oxidanyl-5-oxidanylidene-pentoxy)phenyl]amino]-12-oxidanylidene-dodecanoic acid

Systemtic Name: 12-[[5-nitro-2-(5-oxidanyl-5-oxidanylidene-pentoxy)phenyl]amino]-12-oxidanylidene-dodecanoic acid Openeye Name: 12-[2-(5-hydroxy-5-oxo-pentoxy)-5-nitro-anilino]-12-oxo-dodecanoic acid CAS Name: 12-[2-(5-hydroxy-5-oxopentoxy)-5-nitroanilino]-12-oxododecanoic acid IUPAC Name: 12-[2-(5-hydroxy-5-oxopentoxy)-5-nitroanilino]-12-oxododecanoic acid Traditional Name: 12-[2-(5-hydroxy-5-keto-pentoxy)-5-nitro-anilino]-12-keto-lauric acid Formula: C23H34N2O8 MolecularWeight: 466.52466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])NC(=O)CCCCCCCCCCC(=O)O)OCCCCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])NC(=O)CCCCCCCCCCC(=O)O)OCCCCC(=O)O

InChI

InChI=1S/C23H34N2O8/c26-21(11-7-5-3-1-2-4-6-8-12-22(27)28)24-19-17-18(25(31)32)14-15-20(19)33-16-10-9-13-23(29)30/h14-15,17H,1-13,16H2,(H,24,26)(H,27,28)(H,29,30)