3-chloranyl-7-[(E)-7-methoxy-3,7-dimethyl-oct-2-enoxy]-4-methyl-chromen-2-one

Systemtic Name: 3-chloranyl-7-[(E)-7-methoxy-3,7-dimethyl-oct-2-enoxy]-4-methyl-chromen-2-one Openeye Name: 3-chloro-7-[(E)-7-methoxy-3,7-dimethyl-oct-2-enoxy]-4-methyl-chromen-2-one CAS Name: 3-chloro-7-[(E)-7-methoxy-3,7-dimethyloct-2-enoxy]-4-methyl-1-benzopyran-2-one IUPAC Name: 3-chloro-7-[(E)-7-methoxy-3,7-dimethyloct-2-enoxy]-4-methylchromen-2-one Traditional Name: 3-chloro-7-[(E)-7-methoxy-3,7-dimethyl-oct-2-enoxy]-4-methyl-coumarin Formula: C21H27ClO4 MolecularWeight: 378.88968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC=C(C)CCCC(C)(C)OC)Cl

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC/C=C(\C)/CCCC(C)(C)OC)Cl

InChI

InChI=1S/C21H27ClO4/c1-14(7-6-11-21(3,4)24-5)10-12-25-16-8-9-17-15(2)19(22)20(23)26-18(17)13-16/h8-10,13H,6-7,11-12H2,1-5H3/b14-10+