2-[3,4-bis(oxidanyl)phenyl]-3,5,7-trihexoxy-6-hexyl-chromen-4-one

Systemtic Name: 2-[3,4-bis(oxidanyl)phenyl]-3,5,7-trihexoxy-6-hexyl-chromen-4-one Openeye Name: 2-(3,4-dihydroxyphenyl)-3,5,7-trihexoxy-6-hexyl-chromen-4-one CAS Name: 2-(3,4-dihydroxyphenyl)-3,5,7-trihexoxy-6-hexyl-1-benzopyran-4-one IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,5,7-trihexoxy-6-hexylchromen-4-one Traditional Name: 2-(3,4-dihydroxyphenyl)-3,5,7-trihexoxy-6-hexyl-chromone Formula: C39H58O7 MolecularWeight: 638.87362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1OCCCCCC)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)OCCCCCC)OCCCCCC

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1OCCCCCC)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)OCCCCCC)OCCCCCC

InChI

InChI=1S/C39H58O7/c1-5-9-13-17-21-30-33(43-24-18-14-10-6-2)28-34-35(38(30)44-25-19-15-11-7-3)36(42)39(45-26-20-16-12-8-4)37(46-34)29-22-23-31(40)32(41)27-29/h22-23,27-28,40-41H,5-21,24-26H2,1-4H3