1,5-bis[(4-octylphenyl)sulfanyl]anthracene-9,10-dione

Systemtic Name: 1,5-bis[(4-octylphenyl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,5-bis[(4-octylphenyl)sulfanyl]anthracene-9,10-dione CAS Name: 1,5-bis[(4-octylphenyl)thio]anthracene-9,10-dione IUPAC Name: 1,5-bis[(4-octylphenyl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,5-bis[(4-octylphenyl)thio]-9,10-anthraquinone Formula: C42H48O2S2 MolecularWeight: 648.95932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)SC5=CC=C(C=C5)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)SC5=CC=C(C=C5)CCCCCCCC

InChI

InChI=1S/C42H48O2S2/c1-3-5-7-9-11-13-17-31-23-27-33(28-24-31)45-37-21-15-19-35-39(37)41(43)36-20-16-22-38(40(36)42(35)44)46-34-29-25-32(26-30-34)18-14-12-10-8-6-4-2/h15-16,19-30H,3-14,17-18H2,1-2H3