undecyl 2,7-dinitro-9-thieno[3,4-d][1,3]dithiol-2-ylidene-fluorene-4-carboxylate

Systemtic Name: undecyl 2,7-dinitro-9-thieno[3,4-d][1,3]dithiol-2-ylidene-fluorene-4-carboxylate Openeye Name: undecyl 2,7-dinitro-9-thieno[3,4-d][1,3]dithiol-2-ylidene-fluorene-4-carboxylate CAS Name: 2,7-dinitro-9-(2-thieno[3,4-d][1,3]dithiolylidene)-4-fluorenecarboxylic acid undecyl ester IUPAC Name: undecyl 2,7-dinitro-9-thieno[3,4-d][1,3]dithiol-2-ylidenefluorene-4-carboxylate Traditional Name: 2,7-dinitro-9-thieno[3,4-d][1,3]dithiol-2-ylidene-fluorene-4-carboxylic acid undecyl ester Formula: C30H30N2O6S3 MolecularWeight: 610.764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC(=O)C1=C2C3=C(C=C(C=C3)[N+](=O)[O-])C(=C4SC5=CSC=C5S4)C2=CC(=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCOC(=O)C1=C2C3=C(C=C(C=C3)[N+](=O)[O-])C(=C4SC5=CSC=C5S4)C2=CC(=C1)[N+](=O)[O-]

InChI

InChI=1S/C30H30N2O6S3/c1-2-3-4-5-6-7-8-9-10-13-38-29(33)24-16-20(32(36)37)15-23-27(24)21-12-11-19(31(34)35)14-22(21)28(23)30-40-25-17-39-18-26(25)41-30/h11-12,14-18H,2-10,13H2,1H3