(4-octadecyl-6'-oxidanyl-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl) nitrate

Systemtic Name: (4-octadecyl-6'-oxidanyl-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl) nitrate Openeye Name: (6'-hydroxy-4-octadecyl-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-3'-yl) nitrate CAS Name: nitric acid (6'-hydroxy-4-octadecyl-3-oxo-3'-spiro[isobenzofuran-1,9'-xanthene]yl) ester IUPAC Name: (6'-hydroxy-4-octadecyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) nitrate Traditional Name: nitric acid (6'-hydroxy-3-keto-4-stearyl-spiro[phthalan-1,9'-xanthene]-3'-yl) ester Formula: C38H47NO7 MolecularWeight: 629.78228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC=CC2=C1C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC=CC2=C1C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O[N+](=O)[O-]

InChI

InChI=1S/C38H47NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28-20-18-21-33-36(28)37(41)45-38(33)31-24-22-29(40)26-34(31)44-35-27-30(46-39(42)43)23-25-32(35)38/h18,20-27,40H,2-17,19H2,1H3