6,7-didodecyl-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one

Systemtic Name: 6,7-didodecyl-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one Openeye Name: 6,7-didodecyl-3',6'-dihydroxy-spiro[isobenzofuran-3,9'-xanthene]-1-one CAS Name: 6,7-didodecyl-3',6'-dihydroxy-1-spiro[isobenzofuran-3,9'-xanthene]one IUPAC Name: 6,7-didodecyl-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one Traditional Name: 3',6'-dihydroxy-6,7-dilauryl-spiro[phthalan-3,9'-xanthene]-1-one Formula: C44H60O5 MolecularWeight: 668.9442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C2=C(C=C1)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O)CCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC1=C(C2=C(C=C1)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O)CCCCCCCCCCCC

InChI

InChI=1S/C44H60O5/c1-3-5-7-9-11-13-15-17-19-21-23-33-25-28-39-42(36(33)24-22-20-18-16-14-12-10-8-6-4-2)43(47)49-44(39)37-29-26-34(45)31-40(37)48-41-32-35(46)27-30-38(41)44/h25-32,45-46H,3-24H2,1-2H3