(E)-7-(4-nitrophenyl)carbonyloxy-2-(oxan-2-yloxy)-2-(oxolan-2-yl)hept-5-enoic acid

Systemtic Name: (E)-7-(4-nitrophenyl)carbonyloxy-2-(oxan-2-yloxy)-2-(oxolan-2-yl)hept-5-enoic acid Openeye Name: (E)-7-(4-nitrobenzoyl)oxy-2-tetrahydrofuran-2-yl-2-tetrahydropyran-2-yloxy-hept-5-enoic acid CAS Name: (E)-7-[(4-nitrophenyl)-oxomethoxy]-2-(2-oxanyloxy)-2-(2-oxolanyl)-5-heptenoic acid IUPAC Name: (E)-7-(4-nitrobenzoyl)oxy-2-(oxan-2-yloxy)-2-(oxolan-2-yl)hept-5-enoic acid Traditional Name: (E)-7-(4-nitrobenzoyl)oxy-2-(tetrahydrofuryl)-2-tetrahydropyran-2-yloxy-hept-5-enoic acid Formula: C23H29NO9 MolecularWeight: 463.47766

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OC(CCC=CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])(C3CCCO3)C(=O)O

Isomeric SMILES

C1CCOC(C1)OC(CC/C=C/COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])(C3CCCO3)C(=O)O

InChI

InChI=1S/C23H29NO9/c25-21(17-9-11-18(12-10-17)24(28)29)32-15-4-1-3-13-23(22(26)27,19-7-6-16-30-19)33-20-8-2-5-14-31-20/h1,4,9-12,19-20H,2-3,5-8,13-16H2,(H,26,27)/b4-1+