4-methyl-3-(3-methylbutyl)-7-pentoxy-chromen-2-one

Systemtic Name: 4-methyl-3-(3-methylbutyl)-7-pentoxy-chromen-2-one Openeye Name: 3-isopentyl-4-methyl-7-pentoxy-chromen-2-one CAS Name: 4-methyl-3-(3-methylbutyl)-7-pentoxy-1-benzopyran-2-one IUPAC Name: 4-methyl-3-(3-methylbutyl)-7-pentoxychromen-2-one Traditional Name: 7-amoxy-3-isoamyl-4-methyl-coumarin Formula: C20H28O3 MolecularWeight: 316.43452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC2=C(C=C1)C(=C(C(=O)O2)CCC(C)C)C

Isomeric SMILES

CCCCCOC1=CC2=C(C=C1)C(=C(C(=O)O2)CCC(C)C)C

InChI

InChI=1S/C20H28O3/c1-5-6-7-12-22-16-9-11-17-15(4)18(10-8-14(2)3)20(21)23-19(17)13-16/h9,11,13-14H,5-8,10,12H2,1-4H3