4-decoxy-3-[(E)-hex-3-enoxy]-5-[(2-methylpropan-2-yl)oxy]chromen-2-one

Systemtic Name: 4-decoxy-3-[(E)-hex-3-enoxy]-5-[(2-methylpropan-2-yl)oxy]chromen-2-one Openeye Name: 5-tert-butoxy-4-decoxy-3-[(E)-hex-3-enoxy]chromen-2-one CAS Name: 4-decoxy-3-[(E)-hex-3-enoxy]-5-[(2-methylpropan-2-yl)oxy]-1-benzopyran-2-one IUPAC Name: 4-decoxy-3-[(E)-hex-3-enoxy]-5-[(2-methylpropan-2-yl)oxy]chromen-2-one Traditional Name: 5-tert-butoxy-4-decoxy-3-[(E)-hex-3-enoxy]coumarin Formula: C29H44O5 MolecularWeight: 472.65666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C(=O)OC2=C1C(=CC=C2)OC(C)(C)C)OCCC=CCC

Isomeric SMILES

CCCCCCCCCCOC1=C(C(=O)OC2=C1C(=CC=C2)OC(C)(C)C)OCC/C=C/CC

InChI

InChI=1S/C29H44O5/c1-6-8-10-12-13-14-15-17-21-31-26-25-23(19-18-20-24(25)34-29(3,4)5)33-28(30)27(26)32-22-16-11-9-7-2/h9,11,18-20H,6-8,10,12-17,21-22H2,1-5H3/b11-9+