1,8-bis[(2-azanyl-4-pentyl-phenyl)sulfanyl]anthracene-9,10-dione

Systemtic Name: 1,8-bis[(2-azanyl-4-pentyl-phenyl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,8-bis[(2-amino-4-pentyl-phenyl)sulfanyl]anthracene-9,10-dione CAS Name: 1,8-bis[(2-amino-4-pentylphenyl)thio]anthracene-9,10-dione IUPAC Name: 1,8-bis[(2-amino-4-pentylphenyl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,8-bis[(2-amino-4-amyl-phenyl)thio]-9,10-anthraquinone Formula: C36H38N2O2S2 MolecularWeight: 594.82912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)CCCCC)N)N

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)CCCCC)N)N

InChI

InChI=1S/C36H38N2O2S2/c1-3-5-7-11-23-17-19-29(27(37)21-23)41-31-15-9-13-25-33(31)36(40)34-26(35(25)39)14-10-16-32(34)42-30-20-18-24(22-28(30)38)12-8-6-4-2/h9-10,13-22H,3-8,11-12,37-38H2,1-2H3