1,3-benzodioxol-5-yl 2-[2-ethyl-3,5-bis(oxidanyl)phenyl]ethanoate

Systemtic Name: 1,3-benzodioxol-5-yl 2-[2-ethyl-3,5-bis(oxidanyl)phenyl]ethanoate Openeye Name: 1,3-benzodioxol-5-yl 2-(2-ethyl-3,5-dihydroxy-phenyl)acetate CAS Name: 2-(2-ethyl-3,5-dihydroxyphenyl)acetic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 2-(2-ethyl-3,5-dihydroxyphenyl)acetate Traditional Name: 2-(2-ethyl-3,5-dihydroxy-phenyl)acetic acid 1,3-benzodioxol-5-yl ester Formula: C17H16O6 MolecularWeight: 316.30534

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1CC(=O)OC2=CC3=C(C=C2)OCO3)O)O

Isomeric SMILES

CCC1=C(C=C(C=C1CC(=O)OC2=CC3=C(C=C2)OCO3)O)O

InChI

InChI=1S/C17H16O6/c1-2-13-10(5-11(18)7-14(13)19)6-17(20)23-12-3-4-15-16(8-12)22-9-21-15/h3-5,7-8,18-19H,2,6,9H2,1H3