3-hexadecoxy-3H-2-benzofuran-1-one

Systemtic Name: 3-hexadecoxy-3H-2-benzofuran-1-one Openeye Name: 3-hexadecoxy-3H-isobenzofuran-1-one CAS Name: 3-hexadecoxy-3H-isobenzofuran-1-one IUPAC Name: 3-hexadecoxy-3H-2-benzofuran-1-one Traditional Name: 3-cetyloxyphthalide Formula: C24H38O3 MolecularWeight: 374.55672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1C2=CC=CC=C2C(=O)O1

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1C2=CC=CC=C2C(=O)O1

InChI

InChI=1S/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-26-24-22-19-16-15-18-21(22)23(25)27-24/h15-16,18-19,24H,2-14,17,20H2,1H3