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3-pentylisochromen-1-one

3-pentylisochromen-1-one

Systemtic Name:3-pentylisochromen-1-one
Openeye Name:3-pentylisochromen-1-one
CAS Name:3-pentyl-2-benzopyran-1-one
IUPAC Name:3-pentylisochromen-1-one
Traditional Name:3-amylisocoumarin
Formula: C14H16O2
MolecularWeight: 216.27564
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC2=CC=CC=C2C(=O)O1


Isomeric SMILES

CCCCCC1=CC2=CC=CC=C2C(=O)O1


InChI

InChI=1S/C14H16O2/c1-2-3-4-8-12-10-11-7-5-6-9-13(11)14(15)16-12/h5-7,9-10H,2-4,8H2,1H3


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