5-[3,4-bis(oxidanyl)butoxy]-3-[(E)-oct-1-enoxy]-2-oxidanyl-chromen-4-one

Systemtic Name: 5-[3,4-bis(oxidanyl)butoxy]-3-[(E)-oct-1-enoxy]-2-oxidanyl-chromen-4-one Openeye Name: 5-(3,4-dihydroxybutoxy)-2-hydroxy-3-[(E)-oct-1-enoxy]chromen-4-one CAS Name: 5-(3,4-dihydroxybutoxy)-2-hydroxy-3-[(E)-oct-1-enoxy]-1-benzopyran-4-one IUPAC Name: 5-(3,4-dihydroxybutoxy)-2-hydroxy-3-[(E)-oct-1-enoxy]chromen-4-one Traditional Name: 5-(3,4-dihydroxybutoxy)-2-hydroxy-3-[(E)-oct-1-enoxy]chromone Formula: C21H28O7 MolecularWeight: 392.44282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=COC1=C(OC2=C(C1=O)C(=CC=C2)OCCC(CO)O)O

Isomeric SMILES

CCCCCC/C=C/OC1=C(OC2=C(C1=O)C(=CC=C2)OCCC(CO)O)O

InChI

InChI=1S/C21H28O7/c1-2-3-4-5-6-7-12-27-20-19(24)18-16(26-13-11-15(23)14-22)9-8-10-17(18)28-21(20)25/h7-10,12,15,22-23,25H,2-6,11,13-14H2,1H3/b12-7+