6-chloranyl-2-[[methyl-[(2S)-1-oxidanylpropan-2-yl]amino]methyl]xanthen-9-one

Systemtic Name: 6-chloranyl-2-[[methyl-[(2S)-1-oxidanylpropan-2-yl]amino]methyl]xanthen-9-one Openeye Name: 6-chloro-2-[[[(1S)-2-hydroxy-1-methyl-ethyl]-methyl-amino]methyl]xanthen-9-one CAS Name: 6-chloro-2-[[[(2S)-1-hydroxypropan-2-yl]-methylamino]methyl]-9-xanthenone IUPAC Name: 6-chloro-2-[[[(2S)-1-hydroxypropan-2-yl]-methylamino]methyl]xanthen-9-one Traditional Name: 6-chloro-2-[[[(1S)-2-hydroxy-1-methyl-ethyl]-methyl-amino]methyl]xanthone Formula: C18H18ClNO3 MolecularWeight: 331.79342

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)N(C)CC1=CC2=C(C=C1)OC3=C(C2=O)C=CC(=C3)Cl

Isomeric SMILES

C[C@@H](CO)N(C)CC1=CC2=C(C=C1)OC3=C(C2=O)C=CC(=C3)Cl

InChI

InChI=1S/C18H18ClNO3/c1-11(10-21)20(2)9-12-3-6-16-15(7-12)18(22)14-5-4-13(19)8-17(14)23-16/h3-8,11,21H,9-10H2,1-2H3/t11-/m0/s1