8-oxidanyl-3-undecyl-isochromen-1-one

Systemtic Name: 8-oxidanyl-3-undecyl-isochromen-1-one Openeye Name: 8-hydroxy-3-undecyl-isochromen-1-one CAS Name: 8-hydroxy-3-undecyl-2-benzopyran-1-one IUPAC Name: 8-hydroxy-3-undecylisochromen-1-one Traditional Name: 8-hydroxy-3-undecyl-isocoumarin Formula: C20H28O3 MolecularWeight: 316.43452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CC2=C(C(=CC=C2)O)C(=O)O1

Isomeric SMILES

CCCCCCCCCCCC1=CC2=C(C(=CC=C2)O)C(=O)O1

InChI

InChI=1S/C20H28O3/c1-2-3-4-5-6-7-8-9-10-13-17-15-16-12-11-14-18(21)19(16)20(22)23-17/h11-12,14-15,21H,2-10,13H2,1H3