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9-(1,3-benzodithiol-3-ium-2-yl)-2,5,7-trinitro-9H-fluorene-4-carboxylic acid

9-(1,3-benzodithiol-3-ium-2-yl)-2,5,7-trinitro-9H-fluorene-4-carboxylic acid

Systemtic Name:9-(1,3-benzodithiol-3-ium-2-yl)-2,5,7-trinitro-9H-fluorene-4-carboxylic acid
Openeye Name:9-(1,3-benzodithiol-3-ium-2-yl)-2,5,7-trinitro-9H-fluorene-4-carboxylic acid
CAS Name:9-(1,3-benzodithiol-3-ium-2-yl)-2,5,7-trinitro-9H-fluorene-4-carboxylic acid
IUPAC Name:9-(1,3-benzodithiol-3-ium-2-yl)-2,5,7-trinitro-9H-fluorene-4-carboxylic acid
Traditional Name:9-(1,3-benzodithiol-3-ium-2-yl)-2,5,7-trinitro-9H-fluorene-4-carboxylic acid
Formula: C21H10N3O8S2+
MolecularWeight: 496.4494
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)SC(=[S+]2)C3C4=CC(=CC(=C4C5=C3C=C(C=C5C(=O)O)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]


Isomeric SMILES

C1=CC=C2C(=C1)SC(=[S+]2)C3C4=CC(=CC(=C4C5=C3C=C(C=C5C(=O)O)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]


InChI

InChI=1S/C21H9N3O8S2/c25-20(26)13-7-9(22(27)28)5-11-17(13)19-12(6-10(23(29)30)8-14(19)24(31)32)18(11)21-33-15-3-1-2-4-16(15)34-21/h1-8,18H/p+1


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