7-[6,8-bis(oxidanyl)-3-oxidanylidene-1,4-dihydroisochromen-1-yl]heptyl ethanoate

Systemtic Name: 7-[6,8-bis(oxidanyl)-3-oxidanylidene-1,4-dihydroisochromen-1-yl]heptyl ethanoate Openeye Name: 7-(6,8-dihydroxy-3-oxo-isochroman-1-yl)heptyl acetate CAS Name: acetic acid 7-(6,8-dihydroxy-3-oxo-3,4-dihydro-1H-2-benzopyran-1-yl)heptyl ester IUPAC Name: 7-(6,8-dihydroxy-3-oxo-1,4-dihydroisochromen-1-yl)heptyl acetate Traditional Name: acetic acid 7-(6,8-dihydroxy-3-keto-isochroman-1-yl)heptyl ester Formula: C18H24O6 MolecularWeight: 336.37956

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCCCCC1C2=C(C=C(C=C2CC(=O)O1)O)O

Isomeric SMILES

CC(=O)OCCCCCCCC1C2=C(C=C(C=C2CC(=O)O1)O)O

InChI

InChI=1S/C18H24O6/c1-12(19)23-8-6-4-2-3-5-7-16-18-13(10-17(22)24-16)9-14(20)11-15(18)21/h9,11,16,20-21H,2-8,10H2,1H3