(2E)-2-(5-methyl-3aH-1,3-benzodioxol-4-ylidene)-6-pentoxy-1-benzofuran-3-one

Systemtic Name: (2E)-2-(5-methyl-3aH-1,3-benzodioxol-4-ylidene)-6-pentoxy-1-benzofuran-3-one Openeye Name: (2E)-2-(5-methyl-3aH-1,3-benzodioxol-4-ylidene)-6-pentoxy-benzofuran-3-one CAS Name: (2E)-2-(5-methyl-3aH-1,3-benzodioxol-4-ylidene)-6-pentoxy-3-benzofuranone IUPAC Name: (2E)-2-(5-methyl-3aH-1,3-benzodioxol-4-ylidene)-6-pentoxy-1-benzofuran-3-one Traditional Name: (2E)-6-amoxy-2-(5-methyl-3aH-1,3-benzodioxol-4-ylidene)coumaran-3-one Formula: C21H22O5 MolecularWeight: 354.39638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC2=C(C=C1)C(=O)C(=C3C4C(=CC=C3C)OCO4)O2

Isomeric SMILES

CCCCCOC1=CC2=C(C=C1)C(=O)/C(=C/3\C4C(=CC=C3C)OCO4)/O2

InChI

InChI=1S/C21H22O5/c1-3-4-5-10-23-14-7-8-15-17(11-14)26-21(19(15)22)18-13(2)6-9-16-20(18)25-12-24-16/h6-9,11,20H,3-5,10,12H2,1-2H3/b21-18+