1-methylsulfanyl-5-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]sulfanyl-anthracene-9,10-dione

Systemtic Name: 1-methylsulfanyl-5-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]sulfanyl-anthracene-9,10-dione Openeye Name: 1-methylsulfanyl-5-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]sulfanyl-anthracene-9,10-dione CAS Name: 1-(methylthio)-5-[[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]thio]anthracene-9,10-dione IUPAC Name: 1-methylsulfanyl-5-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]sulfanylanthracene-9,10-dione Traditional Name: 1-[[4-[4-(4-amylcyclohexyl)phenyl]phenyl]thio]-5-(methylthio)-9,10-anthraquinone Formula: C38H38O2S2 MolecularWeight: 590.83712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)SC4=CC=CC5=C4C(=O)C6=C(C5=O)C(=CC=C6)SC

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)SC4=CC=CC5=C4C(=O)C6=C(C5=O)C(=CC=C6)SC

InChI

InChI=1S/C38H38O2S2/c1-3-4-5-8-25-13-15-26(16-14-25)27-17-19-28(20-18-27)29-21-23-30(24-22-29)42-34-12-7-10-32-36(34)38(40)31-9-6-11-33(41-2)35(31)37(32)39/h6-7,9-12,17-26H,3-5,8,13-16H2,1-2H3