(3S,4aS)-3-(furan-3-yl)-5,5-dimethyl-4,4a,6,7-tetrahydro-3H-isochromen-1-one

Systemtic Name: (3S,4aS)-3-(furan-3-yl)-5,5-dimethyl-4,4a,6,7-tetrahydro-3H-isochromen-1-one Openeye Name: (3S,4aS)-3-(3-furyl)-5,5-dimethyl-4,4a,6,7-tetrahydro-3H-isochromen-1-one CAS Name: (3S,4aS)-3-(3-furanyl)-5,5-dimethyl-4,4a,6,7-tetrahydro-3H-2-benzopyran-1-one IUPAC Name: (3S,4aS)-3-(furan-3-yl)-5,5-dimethyl-4,4a,6,7-tetrahydro-3H-isochromen-1-one Traditional Name: (3S,4aS)-3-(3-furyl)-5,5-dimethyl-4,4a,6,7-tetrahydro-3H-isochromen-1-one Formula: C15H18O3 MolecularWeight: 246.30162

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC=C2C1CC(OC2=O)C3=COC=C3)C

Isomeric SMILES

CC1(CCC=C2[C@H]1C[C@H](OC2=O)C3=COC=C3)C

InChI

InChI=1S/C15H18O3/c1-15(2)6-3-4-11-12(15)8-13(18-14(11)16)10-5-7-17-9-10/h4-5,7,9,12-13H,3,6,8H2,1-2H3/t12-,13+/m1/s1