6-[(E)-3,3-dimethylbut-1-enyl]-7-methoxy-chromen-2-one

Systemtic Name: 6-[(E)-3,3-dimethylbut-1-enyl]-7-methoxy-chromen-2-one Openeye Name: 6-[(E)-3,3-dimethylbut-1-enyl]-7-methoxy-chromen-2-one CAS Name: 6-[(E)-3,3-dimethylbut-1-enyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 6-[(E)-3,3-dimethylbut-1-enyl]-7-methoxychromen-2-one Traditional Name: 6-[(E)-3,3-dimethylbut-1-enyl]-7-methoxy-coumarin Formula: C16H18O3 MolecularWeight: 258.31232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C=CC1=C(C=C2C(=C1)C=CC(=O)O2)OC

Isomeric SMILES

CC(C)(C)/C=C/C1=C(C=C2C(=C1)C=CC(=O)O2)OC

InChI

InChI=1S/C16H18O3/c1-16(2,3)8-7-12-9-11-5-6-15(17)19-14(11)10-13(12)18-4/h5-10H,1-4H3/b8-7+