7-but-3-en-2-yloxy-3-hexyl-4,8-dimethyl-chromen-2-one

Systemtic Name: 7-but-3-en-2-yloxy-3-hexyl-4,8-dimethyl-chromen-2-one Openeye Name: 3-hexyl-4,8-dimethyl-7-(1-methylallyloxy)chromen-2-one CAS Name: 7-but-3-en-2-yloxy-3-hexyl-4,8-dimethyl-1-benzopyran-2-one IUPAC Name: 7-but-3-en-2-yloxy-3-hexyl-4,8-dimethylchromen-2-one Traditional Name: 3-hexyl-4,8-dimethyl-7-(1-methylallyloxy)coumarin Formula: C21H28O3 MolecularWeight: 328.44522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=C(C(=C(C=C2)OC(C)C=C)C)OC1=O)C

Isomeric SMILES

CCCCCCC1=C(C2=C(C(=C(C=C2)OC(C)C=C)C)OC1=O)C

InChI

InChI=1S/C21H28O3/c1-6-8-9-10-11-18-15(4)17-12-13-19(23-14(3)7-2)16(5)20(17)24-21(18)22/h7,12-14H,2,6,8-11H2,1,3-5H3