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

Systemtic Name: 6-chloranyl-2-[[[(2S)-1-chloranylpropan-2-yl]amino]methyl]xanthen-9-one hydrochloride Openeye Name: 6-chloro-2-[[[(1S)-2-chloro-1-methyl-ethyl]amino]methyl]xanthen-9-one hydrochloride CAS Name: 6-chloro-2-[[[(2S)-1-chloropropan-2-yl]amino]methyl]-9-xanthenone hydrochloride IUPAC Name: 6-chloro-2-[[[(2S)-1-chloropropan-2-yl]amino]methyl]xanthen-9-one hydrochloride Traditional Name: 6-chloro-2-[[[(1S)-2-chloro-1-methyl-ethyl]amino]methyl]xanthone hydrochloride Formula: C17H16Cl3NO2 MolecularWeight: 372.67344

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCl)NCC1=CC2=C(C=C1)OC3=C(C2=O)C=CC(=C3)Cl.Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H15Cl2NO2.ClH/c1-10(8-18)20-9-11-2-5-15-14(6-11)17(21)13-4-3-12(19)7-16(13)22-15;/h2-7,10,20H,8-9H2,1H3;1H/t10-;/m0./s1