3-heptyl-6-methoxy-8-oxidanyl-isochromen-1-one

Systemtic Name: 3-heptyl-6-methoxy-8-oxidanyl-isochromen-1-one Openeye Name: 3-heptyl-8-hydroxy-6-methoxy-isochromen-1-one CAS Name: 3-heptyl-8-hydroxy-6-methoxy-2-benzopyran-1-one IUPAC Name: 3-heptyl-8-hydroxy-6-methoxyisochromen-1-one Traditional Name: 3-heptyl-8-hydroxy-6-methoxy-isocoumarin Formula: C17H22O4 MolecularWeight: 290.35418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC2=CC(=CC(=C2C(=O)O1)O)OC

Isomeric SMILES

CCCCCCCC1=CC2=CC(=CC(=C2C(=O)O1)O)OC

InChI

InChI=1S/C17H22O4/c1-3-4-5-6-7-8-13-9-12-10-14(20-2)11-15(18)16(12)17(19)21-13/h9-11,18H,3-8H2,1-2H3