1-[3,3-dimethyl-5-[(E)-4-oxidanylbut-2-en-2-yl]-2H-1-benzofuran-7-yl]heptan-3-one

Systemtic Name: 1-[3,3-dimethyl-5-[(E)-4-oxidanylbut-2-en-2-yl]-2H-1-benzofuran-7-yl]heptan-3-one Openeye Name: 1-[5-[(E)-3-hydroxy-1-methyl-prop-1-enyl]-3,3-dimethyl-2H-benzofuran-7-yl]heptan-3-one CAS Name: 1-[5-[(E)-4-hydroxybut-2-en-2-yl]-3,3-dimethyl-2H-benzofuran-7-yl]-3-heptanone IUPAC Name: 1-[5-[(E)-4-hydroxybut-2-en-2-yl]-3,3-dimethyl-2H-1-benzofuran-7-yl]heptan-3-one Traditional Name: 1-[5-[(E)-3-hydroxy-1-methyl-prop-1-enyl]-3,3-dimethyl-coumaran-7-yl]heptan-3-one Formula: C21H30O3 MolecularWeight: 330.4611

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)CCC1=CC(=CC2=C1OCC2(C)C)C(=CCO)C

Isomeric SMILES

CCCCC(=O)CCC1=CC(=CC2=C1OCC2(C)C)/C(=C/CO)/C

InChI

InChI=1S/C21H30O3/c1-5-6-7-18(23)9-8-16-12-17(15(2)10-11-22)13-19-20(16)24-14-21(19,3)4/h10,12-13,22H,5-9,11,14H2,1-4H3/b15-10+