ethyl 2-[3-[6-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexa-1,5-dien-1-yl]phenyl]ethanoate

Systemtic Name: ethyl 2-[3-[6-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexa-1,5-dien-1-yl]phenyl]ethanoate Openeye Name: ethyl 2-[3-[6-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxycyclohexa-1,5-dien-1-yl]phenyl]acetate CAS Name: 2-[3-[6-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-cyclohexa-1,5-dienyl]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexa-1,5-dien-1-yl]phenyl]acetate Traditional Name: 2-[3-[6-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxycyclohexa-1,5-dien-1-yl]phenyl]acetic acid ethyl ester Formula: C22H28O8 MolecularWeight: 420.45292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC=CC(=C1)C2=CCCC=C2OC3C(C(C(C(O3)CO)O)O)O

Isomeric SMILES

CCOC(=O)CC1=CC=CC(=C1)C2=CCCC=C2OC3C(C(C(C(O3)CO)O)O)O

InChI

InChI=1S/C22H28O8/c1-2-28-18(24)11-13-6-5-7-14(10-13)15-8-3-4-9-16(15)29-22-21(27)20(26)19(25)17(12-23)30-22/h5-10,17,19-23,25-27H,2-4,11-12H2,1H3