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

Systemtic Name: [(7R)-5-chloranyl-7-methyl-6,8-bis(oxidanylidene)-3-(3-oxidanylpropyl)isochromen-7-yl] butanoate Openeye Name: [(7R)-5-chloro-3-(3-hydroxypropyl)-7-methyl-6,8-dioxo-isochromen-7-yl] butanoate CAS Name: butanoic acid [(7R)-5-chloro-3-(3-hydroxypropyl)-7-methyl-6,8-dioxo-2-benzopyran-7-yl] ester IUPAC Name: [(7R)-5-chloro-3-(3-hydroxypropyl)-7-methyl-6,8-dioxoisochromen-7-yl] butanoate Traditional Name: butyric acid [(7R)-5-chloro-3-(3-hydroxypropyl)-6,8-diketo-7-methyl-isochromen-7-yl] ester Formula: C17H19ClO6 MolecularWeight: 354.78216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClO6/c1-3-5-13(20)24-17(2)15(21)12-9-23-10(6-4-7-19)8-11(12)14(18)16(17)22/h8-9,19H,3-7H2,1-2H3/t17-/m1/s1