6-chloranyl-4-pentyl-1,4-dihydroisochromen-3-one

Systemtic Name: 6-chloranyl-4-pentyl-1,4-dihydroisochromen-3-one Openeye Name: 6-chloro-4-pentyl-isochroman-3-one CAS Name: 6-chloro-4-pentyl-3,4-dihydro-1H-2-benzopyran-3-one IUPAC Name: 6-chloro-4-pentyl-1,4-dihydroisochromen-3-one Traditional Name: 4-amyl-6-chloro-isochroman-3-one Formula: C14H17ClO2 MolecularWeight: 252.73658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C2=C(COC1=O)C=CC(=C2)Cl

Isomeric SMILES

CCCCCC1C2=C(COC1=O)C=CC(=C2)Cl

InChI

InChI=1S/C14H17ClO2/c1-2-3-4-5-12-13-8-11(15)7-6-10(13)9-17-14(12)16/h6-8,12H,2-5,9H2,1H3