3,4-dimethyl-7-[(1S)-2-oxidanylidenecyclohexyl]oxy-chromen-2-one

Systemtic Name: 3,4-dimethyl-7-[(1S)-2-oxidanylidenecyclohexyl]oxy-chromen-2-one Openeye Name: 3,4-dimethyl-7-[(1S)-2-oxocyclohexoxy]chromen-2-one CAS Name: 3,4-dimethyl-7-[(1S)-2-oxocyclohexyl]oxy-1-benzopyran-2-one IUPAC Name: 3,4-dimethyl-7-[(1S)-2-oxocyclohexyl]oxychromen-2-one Traditional Name: 7-[(1S)-2-ketocyclohexoxy]-3,4-dimethyl-coumarin Formula: C17H18O4 MolecularWeight: 286.32242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC3CCCCC3=O)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)O[C@H]3CCCCC3=O)C

InChI

InChI=1S/C17H18O4/c1-10-11(2)17(19)21-16-9-12(7-8-13(10)16)20-15-6-4-3-5-14(15)18/h7-9,15H,3-6H2,1-2H3/t15-/m0/s1