4-[(4aS)-7-chloranyl-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]morpholin-4-ium

Systemtic Name: 4-[(4aS)-7-chloranyl-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]morpholin-4-ium Openeye Name: 4-[(4aS)-7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]morpholin-4-ium CAS Name: 4-[(4aS)-7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]morpholin-4-ium IUPAC Name: 4-[(4aS)-7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]morpholin-4-ium Traditional Name: 4-[(4aS)-7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]morpholin-4-ium Formula: C17H20ClN2O4+ MolecularWeight: 351.8047

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C(=CC3=CC(=CC(=C3O2)[N+](=O)[O-])Cl)C1)[NH+]4CCOCC4

Isomeric SMILES

C1CC[C@]2(C(=CC3=CC(=CC(=C3O2)[N+](=O)[O-])Cl)C1)[NH+]4CCOCC4

InChI

InChI=1S/C17H19ClN2O4/c18-14-10-12-9-13-3-1-2-4-17(13,19-5-7-23-8-6-19)24-16(12)15(11-14)20(21)22/h9-11H,1-8H2/p+1/t17-/m0/s1