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3-decoxy-4-[(E)-hex-3-enoxy]-5-[(2-methylpropan-2-yl)oxy]chromen-2-one
3-decoxy-4-[(E)-hex-3-enoxy]-5-[(2-methylpropan-2-yl)oxy]chromen-2-one
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Descriptors Computed from Structure
Canonical SMILES:
CCCCCCCCCCOC1=C(C2=C(C=CC=C2OC(C)(C)C)OC1=O)OCCC=CCC
Isomeric SMILES
CCCCCCCCCCOC1=C(C2=C(C=CC=C2OC(C)(C)C)OC1=O)OCC/C=C/CC
InChI
InChI=1S/C29H44O5/c1-6-8-10-12-13-14-15-17-22-32-27-26(31-21-16-11-9-7-2)25-23(33-28(27)30)19-18-20-24(25)34-29(3,4)5/h9,11,18-20H,6-8,10,12-17,21-22H2,1-5H3/b11-9+
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