4-[5-(4-carboxy-2-methoxy-5-nitro-phenoxy)pentoxy]-5-methoxy-2-nitro-benzoic acid

Systemtic Name: 4-[5-(4-carboxy-2-methoxy-5-nitro-phenoxy)pentoxy]-5-methoxy-2-nitro-benzoic acid Openeye Name: 4-[5-(4-carboxy-2-methoxy-5-nitro-phenoxy)pentoxy]-5-methoxy-2-nitro-benzoic acid CAS Name: 4-[5-(4-carboxy-2-methoxy-5-nitrophenoxy)pentoxy]-5-methoxy-2-nitrobenzoic acid IUPAC Name: 4-[5-(4-carboxy-2-methoxy-5-nitrophenoxy)pentoxy]-5-methoxy-2-nitrobenzoic acid Traditional Name: 4-[5-(4-carboxy-2-methoxy-5-nitro-phenoxy)pentoxy]-5-methoxy-2-nitro-benzoic acid Formula: C21H22N2O12 MolecularWeight: 494.40558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OCCCCCOC2=C(C=C(C(=C2)[N+](=O)[O-])C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OCCCCCOC2=C(C=C(C(=C2)[N+](=O)[O-])C(=O)O)OC

InChI

InChI=1S/C21H22N2O12/c1-32-16-8-12(20(24)25)14(22(28)29)10-18(16)34-6-4-3-5-7-35-19-11-15(23(30)31)13(21(26)27)9-17(19)33-2/h8-11H,3-7H2,1-2H3,(H,24,25)(H,26,27)