6-hexyl-6-octyl-2'-oxidanyl-spiro[1,4-dioxepane-5,7'-8H-chromene]-2,4'-dione

Systemtic Name: 6-hexyl-6-octyl-2'-oxidanyl-spiro[1,4-dioxepane-5,7'-8H-chromene]-2,4'-dione Openeye Name: 6-hexyl-2'-hydroxy-6-octyl-spiro[1,4-dioxepane-5,7'-8H-chromene]-2,4'-dione CAS Name: 6-hexyl-2'-hydroxy-6-octylspiro[1,4-dioxepane-5,7'-8H-1-benzopyran]-2,4'-dione IUPAC Name: 6-hexyl-2'-hydroxy-6-octylspiro[1,4-dioxepane-5,7'-8H-chromene]-2,4'-dione Traditional Name: 6-hexyl-2'-hydroxy-6-octyl-spiro[1,4-dioxepane-5,7'-8H-chromene]-2,4'-quinone Formula: C27H40O6 MolecularWeight: 460.6029

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(COC(=O)COC12CC3=C(C=C2)C(=O)C=C(O3)O)CCCCCC

Isomeric SMILES

CCCCCCCCC1(COC(=O)COC12CC3=C(C=C2)C(=O)C=C(O3)O)CCCCCC

InChI

InChI=1S/C27H40O6/c1-3-5-7-9-10-12-15-26(14-11-8-6-4-2)20-31-25(30)19-32-27(26)16-13-21-22(28)17-24(29)33-23(21)18-27/h13,16-17,29H,3-12,14-15,18-20H2,1-2H3