3-decoxy-4-[(E)-hex-3-enoxy]-5-propan-2-yloxy-chromen-2-one

Systemtic Name: 3-decoxy-4-[(E)-hex-3-enoxy]-5-propan-2-yloxy-chromen-2-one Openeye Name: 3-decoxy-4-[(E)-hex-3-enoxy]-5-isopropoxy-chromen-2-one CAS Name: 3-decoxy-4-[(E)-hex-3-enoxy]-5-propan-2-yloxy-1-benzopyran-2-one IUPAC Name: 3-decoxy-4-[(E)-hex-3-enoxy]-5-propan-2-yloxychromen-2-one Traditional Name: 3-decoxy-4-[(E)-hex-3-enoxy]-5-isopropoxy-coumarin Formula: C28H42O5 MolecularWeight: 458.63008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C2=C(C=CC=C2OC(C)C)OC1=O)OCCC=CCC

Isomeric SMILES

CCCCCCCCCCOC1=C(C2=C(C=CC=C2OC(C)C)OC1=O)OCC/C=C/CC

InChI

InChI=1S/C28H42O5/c1-5-7-9-11-12-13-14-16-21-31-27-26(30-20-15-10-8-6-2)25-23(32-22(3)4)18-17-19-24(25)33-28(27)29/h8,10,17-19,22H,5-7,9,11-16,20-21H2,1-4H3/b10-8+