[(7S)-3-(3-acetyloxypropyl)-5-chloranyl-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] butanoate

Systemtic Name: [(7S)-3-(3-acetyloxypropyl)-5-chloranyl-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] butanoate Openeye Name: [(7S)-3-(3-acetoxypropyl)-5-chloro-7-methyl-6,8-dioxo-isochromen-7-yl] butanoate CAS Name: butanoic acid [(7S)-3-(3-acetyloxypropyl)-5-chloro-7-methyl-6,8-dioxo-2-benzopyran-7-yl] ester IUPAC Name: [(7S)-3-(3-acetyloxypropyl)-5-chloro-7-methyl-6,8-dioxoisochromen-7-yl] butanoate Traditional Name: butyric acid [(7S)-3-(3-acetoxypropyl)-5-chloro-6,8-diketo-7-methyl-isochromen-7-yl] ester Formula: C19H21ClO7 MolecularWeight: 396.81884

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1(C(=O)C2=COC(=CC2=C(C1=O)Cl)CCCOC(=O)C)C

Isomeric SMILES

CCCC(=O)O[C@]1(C(=O)C2=COC(=CC2=C(C1=O)Cl)CCCOC(=O)C)C

InChI

InChI=1S/C19H21ClO7/c1-4-6-15(22)27-19(3)17(23)14-10-26-12(7-5-8-25-11(2)21)9-13(14)16(20)18(19)24/h9-10H,4-8H2,1-3H3/t19-/m0/s1