N-[1,1-bis(oxidanylidene)thiolan-3-yl]-7-chloranyl-5-nitro-1,2,3,4-tetrahydroxanthen-4a-amine

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-7-chloranyl-5-nitro-1,2,3,4-tetrahydroxanthen-4a-amine Openeye Name: 7-chloro-N-(1,1-dioxothiolan-3-yl)-5-nitro-1,2,3,4-tetrahydroxanthen-4a-amine CAS Name: 7-chloro-N-(1,1-dioxo-3-thiolanyl)-5-nitro-1,2,3,4-tetrahydroxanthen-4a-amine IUPAC Name: 7-chloro-N-(1,1-dioxothiolan-3-yl)-5-nitro-1,2,3,4-tetrahydroxanthen-4a-amine Traditional Name: (7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)-(1,1-diketothiolan-3-yl)amine Formula: C17H19ClN2O5S MolecularWeight: 398.86116

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C(=CC3=CC(=CC(=C3O2)[N+](=O)[O-])Cl)C1)NC4CCS(=O)(=O)C4

Isomeric SMILES

C1CCC2(C(=CC3=CC(=CC(=C3O2)[N+](=O)[O-])Cl)C1)NC4CCS(=O)(=O)C4

InChI

InChI=1S/C17H19ClN2O5S/c18-13-8-11-7-12-3-1-2-5-17(12,19-14-4-6-26(23,24)10-14)25-16(11)15(9-13)20(21)22/h7-9,14,19H,1-6,10H2