(3S,4S)-3,4-bis[(6-azanyl-1,3-benzodioxol-5-yl)methyl]oxolan-2-one

Systemtic Name: (3S,4S)-3,4-bis[(6-azanyl-1,3-benzodioxol-5-yl)methyl]oxolan-2-one Openeye Name: (3S,4S)-3,4-bis[(6-amino-1,3-benzodioxol-5-yl)methyl]tetrahydrofuran-2-one CAS Name: (3S,4S)-3,4-bis[(6-amino-1,3-benzodioxol-5-yl)methyl]-2-oxolanone IUPAC Name: (3S,4S)-3,4-bis[(6-amino-1,3-benzodioxol-5-yl)methyl]oxolan-2-one Traditional Name: (3S,4S)-3,4-bis[(6-amino-1,3-benzodioxol-5-yl)methyl]tetrahydrofuran-2-one Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(=O)O1)CC2=CC3=C(C=C2N)OCO3)CC4=CC5=C(C=C4N)OCO5

Isomeric SMILES

C1[C@H]([C@@H](C(=O)O1)CC2=CC3=C(C=C2N)OCO3)CC4=CC5=C(C=C4N)OCO5

InChI

InChI=1S/C20H20N2O6/c21-14-5-18-16(25-8-27-18)3-10(14)1-12-7-24-20(23)13(12)2-11-4-17-19(6-15(11)22)28-9-26-17/h3-6,12-13H,1-2,7-9,21-22H2/t12-,13+/m1/s1