(1R,8aR)-1-(furan-3-yl)-5,5,8a-trimethyl-1,6,7,8-tetrahydroisochromen-3-one

Systemtic Name: (1R,8aR)-1-(furan-3-yl)-5,5,8a-trimethyl-1,6,7,8-tetrahydroisochromen-3-one Openeye Name: (1R,8aR)-1-(3-furyl)-5,5,8a-trimethyl-1,6,7,8-tetrahydroisochromen-3-one CAS Name: (1R,8aR)-1-(3-furanyl)-5,5,8a-trimethyl-1,6,7,8-tetrahydro-2-benzopyran-3-one IUPAC Name: (1R,8aR)-1-(furan-3-yl)-5,5,8a-trimethyl-1,6,7,8-tetrahydroisochromen-3-one Traditional Name: (1R,8aR)-1-(3-furyl)-5,5,8a-trimethyl-1,6,7,8-tetrahydroisochromen-3-one Formula: C16H20O3 MolecularWeight: 260.3282

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC2(C1=CC(=O)OC2C3=COC=C3)C)C

Isomeric SMILES

C[C@@]12CCCC(C1=CC(=O)O[C@H]2C3=COC=C3)(C)C

InChI

InChI=1S/C16H20O3/c1-15(2)6-4-7-16(3)12(15)9-13(17)19-14(16)11-5-8-18-10-11/h5,8-10,14H,4,6-7H2,1-3H3/t14-,16+/m0/s1