4-butoxy-7-octoxy-4H-chromene-2,3-dione

Systemtic Name: 4-butoxy-7-octoxy-4H-chromene-2,3-dione Openeye Name: 4-butoxy-7-octoxy-chromane-2,3-dione CAS Name: 4-butoxy-7-octoxy-3,4-dihydro-2H-1-benzopyran-2,3-dione IUPAC Name: 4-butoxy-7-octoxy-4H-chromene-2,3-dione Traditional Name: 4-butoxy-7-octoxy-chroman-2,3-quinone Formula: C21H30O5 MolecularWeight: 362.4599

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC2=C(C=C1)C(C(=O)C(=O)O2)OCCCC

Isomeric SMILES

CCCCCCCCOC1=CC2=C(C=C1)C(C(=O)C(=O)O2)OCCCC

InChI

InChI=1S/C21H30O5/c1-3-5-7-8-9-10-14-24-16-11-12-17-18(15-16)26-21(23)19(22)20(17)25-13-6-4-2/h11-12,15,20H,3-10,13-14H2,1-2H3