(E)-7-[2-(nitromethyl)-3-[(E)-3-oxidanyl-3-phenyl-oct-1-enyl]-6,9-dioxaspiro[4.4]nonan-4-yl]hept-5-enoic acid

Systemtic Name: (E)-7-[2-(nitromethyl)-3-[(E)-3-oxidanyl-3-phenyl-oct-1-enyl]-6,9-dioxaspiro[4.4]nonan-4-yl]hept-5-enoic acid Openeye Name: (E)-7-[3-[(E)-3-hydroxy-3-phenyl-oct-1-enyl]-2-(nitromethyl)-6,9-dioxaspiro[4.4]nonan-4-yl]hept-5-enoic acid CAS Name: (E)-7-[3-[(E)-3-hydroxy-3-phenyloct-1-enyl]-2-(nitromethyl)-6,9-dioxaspiro[4.4]nonan-4-yl]-5-heptenoic acid IUPAC Name: (E)-7-[3-[(E)-3-hydroxy-3-phenyloct-1-enyl]-2-(nitromethyl)-6,9-dioxaspiro[4.4]nonan-4-yl]hept-5-enoic acid Traditional Name: (E)-7-[3-[(E)-3-hydroxy-3-phenyl-oct-1-enyl]-2-(nitromethyl)-6,9-dioxaspiro[4.4]nonan-4-yl]hept-5-enoic acid Formula: C29H41NO7 MolecularWeight: 515.63834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1C(CC2(C1CC=CCCCC(=O)O)OCCO2)C[N+](=O)[O-])(C3=CC=CC=C3)O

Isomeric SMILES

CCCCCC(/C=C/C1C(CC2(C1C/C=C/CCCC(=O)O)OCCO2)C[N+](=O)[O-])(C3=CC=CC=C3)O

InChI

InChI=1S/C29H41NO7/c1-2-3-11-17-28(33,24-12-7-6-8-13-24)18-16-25-23(22-30(34)35)21-29(36-19-20-37-29)26(25)14-9-4-5-10-15-27(31)32/h4,6-9,12-13,16,18,23,25-26,33H,2-3,5,10-11,14-15,17,19-22H2,1H3,(H,31,32)/b9-4+,18-16+