1-(4-nonylphenyl)sulfanyl-5-phenylsulfanyl-anthracene-9,10-dione

Systemtic Name: 1-(4-nonylphenyl)sulfanyl-5-phenylsulfanyl-anthracene-9,10-dione Openeye Name: 1-(4-nonylphenyl)sulfanyl-5-phenylsulfanyl-anthracene-9,10-dione CAS Name: 1-[(4-nonylphenyl)thio]-5-(phenylthio)anthracene-9,10-dione IUPAC Name: 1-(4-nonylphenyl)sulfanyl-5-phenylsulfanylanthracene-9,10-dione Traditional Name: 1-[(4-nonylphenyl)thio]-5-(phenylthio)-9,10-anthraquinone Formula: C35H34O2S2 MolecularWeight: 550.77326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)SC5=CC=CC=C5

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)SC5=CC=CC=C5

InChI

InChI=1S/C35H34O2S2/c1-2-3-4-5-6-7-9-14-25-21-23-27(24-22-25)39-31-20-13-18-29-33(31)35(37)28-17-12-19-30(32(28)34(29)36)38-26-15-10-8-11-16-26/h8,10-13,15-24H,2-7,9,14H2,1H3