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

Systemtic Name: 1-chloranyl-5-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]sulfanyl-anthracene-9,10-dione Openeye Name: 1-chloro-5-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]sulfanyl-anthracene-9,10-dione CAS Name: 1-chloro-5-[[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]thio]anthracene-9,10-dione IUPAC Name: 1-chloro-5-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]sulfanylanthracene-9,10-dione Traditional Name: 1-[[4-[4-(4-amylcyclohexyl)phenyl]phenyl]thio]-5-chloro-9,10-anthraquinone Formula: C37H35ClO2S MolecularWeight: 579.1906

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)Cl

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)Cl

InChI

InChI=1S/C37H35ClO2S/c1-2-3-4-7-24-12-14-25(15-13-24)26-16-18-27(19-17-26)28-20-22-29(23-21-28)41-33-11-6-9-31-35(33)37(40)30-8-5-10-32(38)34(30)36(31)39/h5-6,8-11,16-25H,2-4,7,12-15H2,1H3