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

Systemtic Name: 1,8-bis[(2-azanyl-4-tridecoxy-phenyl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,8-bis[(2-amino-4-tridecoxy-phenyl)sulfanyl]anthracene-9,10-dione CAS Name: 1,8-bis[(2-amino-4-tridecoxyphenyl)thio]anthracene-9,10-dione IUPAC Name: 1,8-bis[(2-amino-4-tridecoxyphenyl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,8-bis[(2-amino-4-tridecoxy-phenyl)thio]-9,10-anthraquinone Formula: C52H70N2O4S2 MolecularWeight: 851.2532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)OCCCCCCCCCCCCC)N)N

Isomeric SMILES

CCCCCCCCCCCCCOC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)OCCCCCCCCCCCCC)N)N

InChI

InChI=1S/C52H70N2O4S2/c1-3-5-7-9-11-13-15-17-19-21-23-35-57-39-31-33-45(43(53)37-39)59-47-29-25-27-41-49(47)52(56)50-42(51(41)55)28-26-30-48(50)60-46-34-32-40(38-44(46)54)58-36-24-22-20-18-16-14-12-10-8-6-4-2/h25-34,37-38H,3-24,35-36,53-54H2,1-2H3