7-heptoxy-8-(3-methylbutyl)chromen-2-one

Systemtic Name: 7-heptoxy-8-(3-methylbutyl)chromen-2-one Openeye Name: 7-heptoxy-8-isopentyl-chromen-2-one CAS Name: 7-heptoxy-8-(3-methylbutyl)-1-benzopyran-2-one IUPAC Name: 7-heptoxy-8-(3-methylbutyl)chromen-2-one Traditional Name: 7-heptoxy-8-isoamyl-coumarin Formula: C21H30O3 MolecularWeight: 330.4611

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C2=C(C=C1)C=CC(=O)O2)CCC(C)C

Isomeric SMILES

CCCCCCCOC1=C(C2=C(C=C1)C=CC(=O)O2)CCC(C)C

InChI

InChI=1S/C21H30O3/c1-4-5-6-7-8-15-23-19-13-10-17-11-14-20(22)24-21(17)18(19)12-9-16(2)3/h10-11,13-14,16H,4-9,12,15H2,1-3H3