9,10-bis(4-methoxyphenyl)-2,6-bis(octylsulfanyl)anthracene

Systemtic Name: 9,10-bis(4-methoxyphenyl)-2,6-bis(octylsulfanyl)anthracene Openeye Name: 9,10-bis(4-methoxyphenyl)-2,6-bis(octylsulfanyl)anthracene CAS Name: 9,10-bis(4-methoxyphenyl)-2,6-bis(octylthio)anthracene IUPAC Name: 9,10-bis(4-methoxyphenyl)-2,6-bis(octylsulfanyl)anthracene Traditional Name: 9,10-bis(4-methoxyphenyl)-2,6-bis(octylthio)anthracene Formula: C44H54O2S2 MolecularWeight: 679.02836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=CC2=C(C=C1)C(=C3C=C(C=CC3=C2C4=CC=C(C=C4)OC)SCCCCCCCC)C5=CC=C(C=C5)OC

Isomeric SMILES

CCCCCCCCSC1=CC2=C(C=C1)C(=C3C=C(C=CC3=C2C4=CC=C(C=C4)OC)SCCCCCCCC)C5=CC=C(C=C5)OC

InChI

InChI=1S/C44H54O2S2/c1-5-7-9-11-13-15-29-47-37-25-27-39-41(31-37)43(33-17-21-35(45-3)22-18-33)40-28-26-38(48-30-16-14-12-10-8-6-2)32-42(40)44(39)34-19-23-36(46-4)24-20-34/h17-28,31-32H,5-16,29-30H2,1-4H3