3-[(2S)-hex-4-yn-2-yl]oxy-6,8-dimethoxy-isochromen-1-one

Systemtic Name: 3-[(2S)-hex-4-yn-2-yl]oxy-6,8-dimethoxy-isochromen-1-one Openeye Name: 6,8-dimethoxy-3-[(1S)-1-methylpent-3-ynoxy]isochromen-1-one CAS Name: 3-[(2S)-hex-4-yn-2-yl]oxy-6,8-dimethoxy-2-benzopyran-1-one IUPAC Name: 3-[(2S)-hex-4-yn-2-yl]oxy-6,8-dimethoxyisochromen-1-one Traditional Name: 6,8-dimethoxy-3-[(1S)-1-methylpent-3-ynoxy]isocoumarin Formula: C17H18O5 MolecularWeight: 302.32182

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCC(C)OC1=CC2=CC(=CC(=C2C(=O)O1)OC)OC

Isomeric SMILES

CC#CC[C@H](C)OC1=CC2=CC(=CC(=C2C(=O)O1)OC)OC

InChI

InChI=1S/C17H18O5/c1-5-6-7-11(2)21-15-9-12-8-13(19-3)10-14(20-4)16(12)17(18)22-15/h8-11H,7H2,1-4H3/t11-/m0/s1