2-chloranyl-7-[[[(2S)-1-oxidanylbutan-2-yl]amino]methyl]xanthen-9-one

Systemtic Name: 2-chloranyl-7-[[[(2S)-1-oxidanylbutan-2-yl]amino]methyl]xanthen-9-one Openeye Name: 2-chloro-7-[[[(1S)-1-(hydroxymethyl)propyl]amino]methyl]xanthen-9-one CAS Name: 2-chloro-7-[[[(2S)-1-hydroxybutan-2-yl]amino]methyl]-9-xanthenone IUPAC Name: 2-chloro-7-[[[(2S)-1-hydroxybutan-2-yl]amino]methyl]xanthen-9-one Traditional Name: 2-chloro-7-[[[(1S)-1-methylolpropyl]amino]methyl]xanthone Formula: C18H18ClNO3 MolecularWeight: 331.79342

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NCC1=CC2=C(C=C1)OC3=C(C2=O)C=C(C=C3)Cl

Isomeric SMILES

CC[C@@H](CO)NCC1=CC2=C(C=C1)OC3=C(C2=O)C=C(C=C3)Cl

InChI

InChI=1S/C18H18ClNO3/c1-2-13(10-21)20-9-11-3-5-16-14(7-11)18(22)15-8-12(19)4-6-17(15)23-16/h3-8,13,20-21H,2,9-10H2,1H3/t13-/m0/s1