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

Systemtic Name: 7-hexoxy-4-methyl-3-(3-methylbutyl)chromen-2-one Openeye Name: 7-hexoxy-3-isopentyl-4-methyl-chromen-2-one CAS Name: 7-hexoxy-4-methyl-3-(3-methylbutyl)-1-benzopyran-2-one IUPAC Name: 7-hexoxy-4-methyl-3-(3-methylbutyl)chromen-2-one Traditional Name: 7-hexoxy-3-isoamyl-4-methyl-coumarin Formula: C21H30O3 MolecularWeight: 330.4611

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC2=C(C=C1)C(=C(C(=O)O2)CCC(C)C)C

Isomeric SMILES

CCCCCCOC1=CC2=C(C=C1)C(=C(C(=O)O2)CCC(C)C)C

InChI

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