(7S)-7-butanoyloxy-4-methoxy-7-methyl-6,8-bis(oxidanylidene)-3-(3-oxidanylpropyl)isochromen-5-olate

Systemtic Name: (7S)-7-butanoyloxy-4-methoxy-7-methyl-6,8-bis(oxidanylidene)-3-(3-oxidanylpropyl)isochromen-5-olate Openeye Name: (7S)-7-butanoyloxy-3-(3-hydroxypropyl)-4-methoxy-7-methyl-6,8-dioxo-isochromen-5-olate CAS Name: (7S)-3-(3-hydroxypropyl)-4-methoxy-7-methyl-6,8-dioxo-7-(1-oxobutoxy)-2-benzopyran-5-olate IUPAC Name: (7S)-7-butanoyloxy-3-(3-hydroxypropyl)-4-methoxy-7-methyl-6,8-dioxoisochromen-5-olate Traditional Name: (7S)-7-butyryloxy-3-(3-hydroxypropyl)-6,8-diketo-4-methoxy-7-methyl-isochromen-5-olate Formula: C18H21O8- MolecularWeight: 365.35454

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1(C(=O)C2=COC(=C(C2=C(C1=O)[O-])OC)CCCO)C

Isomeric SMILES

CCCC(=O)O[C@]1(C(=O)C2=COC(=C(C2=C(C1=O)[O-])OC)CCCO)C

InChI

InChI=1S/C18H22O8/c1-4-6-12(20)26-18(2)16(22)10-9-25-11(7-5-8-19)15(24-3)13(10)14(21)17(18)23/h9,19,21H,4-8H2,1-3H3/p-1/t18-/m0/s1