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

Systemtic Name: 1,8-bis[(2-azanyl-4-octadecyl-phenyl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,8-bis[(2-amino-4-octadecyl-phenyl)sulfanyl]anthracene-9,10-dione CAS Name: 1,8-bis[(2-amino-4-octadecylphenyl)thio]anthracene-9,10-dione IUPAC Name: 1,8-bis[(2-amino-4-octadecylphenyl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,8-bis[(2-amino-4-stearyl-phenyl)thio]-9,10-anthraquinone Formula: C62H90N2O2S2 MolecularWeight: 959.5202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)CCCCCCCCCCCCCCCCCC)N)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)CCCCCCCCCCCCCCCCCC)N)N

InChI

InChI=1S/C62H90N2O2S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-49-43-45-55(53(63)47-49)67-57-41-35-39-51-59(57)62(66)60-52(61(51)65)40-36-42-58(60)68-56-46-44-50(48-54(56)64)38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36,39-48H,3-34,37-38,63-64H2,1-2H3