(9E)-2,5,7-trinitro-9-(5-phenyl-1,2-dithiol-3-ylidene)fluorene-4-carboxylic acid

Systemtic Name: (9E)-2,5,7-trinitro-9-(5-phenyl-1,2-dithiol-3-ylidene)fluorene-4-carboxylic acid Openeye Name: (9E)-2,5,7-trinitro-9-(5-phenyldithiol-3-ylidene)fluorene-4-carboxylic acid CAS Name: (9E)-2,5,7-trinitro-9-(5-phenyl-3-dithiolylidene)-4-fluorenecarboxylic acid IUPAC Name: (9E)-2,5,7-trinitro-9-(5-phenyldithiol-3-ylidene)fluorene-4-carboxylic acid Traditional Name: (9E)-2,5,7-trinitro-9-(5-phenyldithiol-3-ylidene)fluorene-4-carboxylic acid Formula: C23H11N3O8S2 MolecularWeight: 521.47874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=C3C4=CC(=CC(=C4C5=C(C=C(C=C35)[N+](=O)[O-])[N+](=O)[O-])C(=O)O)[N+](=O)[O-])SS2

Isomeric SMILES

C1=CC=C(C=C1)C2=C/C(=C\3/C4=CC(=CC(=C4C5=C(C=C(C=C35)[N+](=O)[O-])[N+](=O)[O-])C(=O)O)[N+](=O)[O-])/SS2

InChI

InChI=1S/C23H11N3O8S2/c27-23(28)16-8-12(24(29)30)6-14-20(19-10-18(35-36-19)11-4-2-1-3-5-11)15-7-13(25(31)32)9-17(26(33)34)22(15)21(14)16/h1-10H,(H,27,28)/b20-19+