methyl 2-[2-(1,3-benzodioxol-5-yl)-6-ethyl-3,5-bis(oxidanyl)phenyl]ethanoate

Systemtic Name: methyl 2-[2-(1,3-benzodioxol-5-yl)-6-ethyl-3,5-bis(oxidanyl)phenyl]ethanoate Openeye Name: methyl 2-[2-(1,3-benzodioxol-5-yl)-6-ethyl-3,5-dihydroxy-phenyl]acetate CAS Name: 2-[2-(1,3-benzodioxol-5-yl)-6-ethyl-3,5-dihydroxyphenyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(1,3-benzodioxol-5-yl)-6-ethyl-3,5-dihydroxyphenyl]acetate Traditional Name: 2-[2-(1,3-benzodioxol-5-yl)-6-ethyl-3,5-dihydroxy-phenyl]acetic acid methyl ester Formula: C18H18O6 MolecularWeight: 330.33192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18O6/c1-3-11-12(7-17(21)22-2)18(14(20)8-13(11)19)10-4-5-15-16(6-10)24-9-23-15/h4-6,8,19-20H,3,7,9H2,1-2H3