(2R)-2-(1,3-benzodioxol-5-yl)-4-methoxy-6-propan-2-yloxy-2H-chromene-3-carboxylate; [(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]azanium

Systemtic Name: (2R)-2-(1,3-benzodioxol-5-yl)-4-methoxy-6-propan-2-yloxy-2H-chromene-3-carboxylate; [(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]azanium Openeye Name: (2R)-2-(1,3-benzodioxol-5-yl)-6-isopropoxy-4-methoxy-2H-chromene-3-carboxylate; [(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]ammonium CAS Name: (2R)-2-(1,3-benzodioxol-5-yl)-4-methoxy-6-propan-2-yloxy-2H-1-benzopyran-3-carboxylate; [(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]ammonium IUPAC Name: (2R)-2-(1,3-benzodioxol-5-yl)-4-methoxy-6-propan-2-yloxy-2H-chromene-3-carboxylate; [(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium Traditional Name: (2R)-2-(1,3-benzodioxol-5-yl)-6-isopropoxy-4-methoxy-2H-chromene-3-carboxylate; [(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]ammonium Formula: C30H33NO8 MolecularWeight: 535.58492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC2=C(C=C1)OC(C(=C2OC)C(=O)[O-])C3=CC4=C(C=C3)OCO4.CC(C(C1=CC=CC=C1)O)[NH3+]

Isomeric SMILES

C[C@H]([C@H](C1=CC=CC=C1)O)[NH3+].CC(C)OC1=CC2=C(C=C1)O[C@@H](C(=C2OC)C(=O)[O-])C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20O7.C9H13NO/c1-11(2)27-13-5-7-15-14(9-13)20(24-3)18(21(22)23)19(28-15)12-4-6-16-17(8-12)26-10-25-16;1-7(10)9(11)8-5-3-2-4-6-8/h4-9,11,19H,10H2,1-3H3,(H,22,23);2-7,9,11H,10H2,1H3/t19-;7-,9-/m11/s1