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

Systemtic Name: 1,8-bis[(2-azanyl-4-dodecoxy-phenyl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,8-bis[(2-amino-4-dodecoxy-phenyl)sulfanyl]anthracene-9,10-dione CAS Name: 1,8-bis[(2-amino-4-dodecoxyphenyl)thio]anthracene-9,10-dione IUPAC Name: 1,8-bis[(2-amino-4-dodecoxyphenyl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,8-bis[(2-amino-4-lauryloxy-phenyl)thio]-9,10-anthraquinone Formula: C50H66N2O4S2 MolecularWeight: 823.20004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)OCCCCCCCCCCCC)N)N

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)OCCCCCCCCCCCC)N)N

InChI

InChI=1S/C50H66N2O4S2/c1-3-5-7-9-11-13-15-17-19-21-33-55-37-29-31-43(41(51)35-37)57-45-27-23-25-39-47(45)50(54)48-40(49(39)53)26-24-28-46(48)58-44-32-30-38(36-42(44)52)56-34-22-20-18-16-14-12-10-8-6-4-2/h23-32,35-36H,3-22,33-34,51-52H2,1-2H3