3-hexyl-4-methyl-7-(2-oxidanylidenecyclohexyl)oxy-chromen-2-one

Systemtic Name: 3-hexyl-4-methyl-7-(2-oxidanylidenecyclohexyl)oxy-chromen-2-one Openeye Name: 3-hexyl-4-methyl-7-(2-oxocyclohexoxy)chromen-2-one CAS Name: 3-hexyl-4-methyl-7-(2-oxocyclohexyl)oxy-1-benzopyran-2-one IUPAC Name: 3-hexyl-4-methyl-7-(2-oxocyclohexyl)oxychromen-2-one Traditional Name: 3-hexyl-7-(2-ketocyclohexoxy)-4-methyl-coumarin Formula: C22H28O4 MolecularWeight: 356.45532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=C(C=C(C=C2)OC3CCCCC3=O)OC1=O)C

Isomeric SMILES

CCCCCCC1=C(C2=C(C=C(C=C2)OC3CCCCC3=O)OC1=O)C

InChI

InChI=1S/C22H28O4/c1-3-4-5-6-9-18-15(2)17-13-12-16(14-21(17)26-22(18)24)25-20-11-8-7-10-19(20)23/h12-14,20H,3-11H2,1-2H3