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

Systemtic Name: 1,8-bis[(2-azanyl-4-octadecoxy-phenyl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,8-bis[(2-amino-4-octadecoxy-phenyl)sulfanyl]anthracene-9,10-dione CAS Name: 1,8-bis[(2-amino-4-octadecoxyphenyl)thio]anthracene-9,10-dione IUPAC Name: 1,8-bis[(2-amino-4-octadecoxyphenyl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,8-bis[(2-amino-4-stearyloxy-phenyl)thio]-9,10-anthraquinone Formula: C62H90N2O4S2 MolecularWeight: 991.519

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)OCCCCCCCCCCCCCCCCCC)N)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)OCCCCCCCCCCCCCCCCCC)N)N

InChI

InChI=1S/C62H90N2O4S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-45-67-49-41-43-55(53(63)47-49)69-57-39-35-37-51-59(57)62(66)60-52(61(51)65)38-36-40-58(60)70-56-44-42-50(48-54(56)64)68-46-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-44,47-48H,3-34,45-46,63-64H2,1-2H3