9,9-didecyl-2-nitro-7-[(E)-2-(4-phenylsulfanylphenyl)ethenyl]fluorene

Systemtic Name: 9,9-didecyl-2-nitro-7-[(E)-2-(4-phenylsulfanylphenyl)ethenyl]fluorene Openeye Name: 9,9-didecyl-2-nitro-7-[(E)-2-(4-phenylsulfanylphenyl)vinyl]fluorene CAS Name: 9,9-didecyl-2-nitro-7-[(E)-2-[4-(phenylthio)phenyl]ethenyl]fluorene IUPAC Name: 9,9-didecyl-2-nitro-7-[(E)-2-(4-phenylsulfanylphenyl)ethenyl]fluorene Traditional Name: 9,9-didecyl-2-nitro-7-[(E)-2-[4-(phenylthio)phenyl]vinyl]fluorene Formula: C47H59NO2S MolecularWeight: 702.04186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1(C2=C(C=CC(=C2)C=CC3=CC=C(C=C3)SC4=CC=CC=C4)C5=C1C=C(C=C5)[N+](=O)[O-])CCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCC1(C2=C(C=CC(=C2)/C=C/C3=CC=C(C=C3)SC4=CC=CC=C4)C5=C1C=C(C=C5)[N+](=O)[O-])CCCCCCCCCC

InChI

InChI=1S/C47H59NO2S/c1-3-5-7-9-11-13-15-20-34-47(35-21-16-14-12-10-8-6-4-2)45-36-39(28-32-43(45)44-33-29-40(48(49)50)37-46(44)47)25-24-38-26-30-42(31-27-38)51-41-22-18-17-19-23-41/h17-19,22-33,36-37H,3-16,20-21,34-35H2,1-2H3/b25-24+