5-[3,4-bis(oxidanyl)butoxy]-3-octoxy-2-oxidanyl-chromen-4-one

Systemtic Name: 5-[3,4-bis(oxidanyl)butoxy]-3-octoxy-2-oxidanyl-chromen-4-one Openeye Name: 5-(3,4-dihydroxybutoxy)-2-hydroxy-3-octoxy-chromen-4-one CAS Name: 5-(3,4-dihydroxybutoxy)-2-hydroxy-3-octoxy-1-benzopyran-4-one IUPAC Name: 5-(3,4-dihydroxybutoxy)-2-hydroxy-3-octoxychromen-4-one Traditional Name: 5-(3,4-dihydroxybutoxy)-2-hydroxy-3-octoxy-chromone Formula: C21H30O7 MolecularWeight: 394.4587

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(OC2=C(C1=O)C(=CC=C2)OCCC(CO)O)O

Isomeric SMILES

CCCCCCCCOC1=C(OC2=C(C1=O)C(=CC=C2)OCCC(CO)O)O

InChI

InChI=1S/C21H30O7/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/h8-10,15,22-23,25H,2-7,11-14H2,1H3