7-octadecyl-2-[3,4,5-tris(oxidanyl)phenyl]chromene-3,4-dione

Systemtic Name: 7-octadecyl-2-[3,4,5-tris(oxidanyl)phenyl]chromene-3,4-dione Openeye Name: 7-octadecyl-2-(3,4,5-trihydroxyphenyl)chromane-3,4-dione CAS Name: 7-octadecyl-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,4-dione IUPAC Name: 7-octadecyl-2-(3,4,5-trihydroxyphenyl)chromene-3,4-dione Traditional Name: 7-stearyl-2-(3,4,5-trihydroxyphenyl)chroman-3,4-quinone Formula: C33H46O6 MolecularWeight: 538.71474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC2=C(C=C1)C(=O)C(=O)C(O2)C3=CC(=C(C(=C3)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC2=C(C=C1)C(=O)C(=O)C(O2)C3=CC(=C(C(=C3)O)O)O

InChI

InChI=1S/C33H46O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-19-20-26-29(21-24)39-33(32(38)30(26)36)25-22-27(34)31(37)28(35)23-25/h19-23,33-35,37H,2-18H2,1H3