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

Systemtic Name: 1,8-bis[(2-azanyl-4-heptadecoxy-phenyl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,8-bis[(2-amino-4-heptadecoxy-phenyl)sulfanyl]anthracene-9,10-dione CAS Name: 1,8-bis[(2-amino-4-heptadecoxyphenyl)thio]anthracene-9,10-dione IUPAC Name: 1,8-bis[(2-amino-4-heptadecoxyphenyl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,8-bis[(2-amino-4-heptadecoxy-phenyl)thio]-9,10-anthraquinone Formula: C60H86N2O4S2 MolecularWeight: 963.46584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)OCCCCCCCCCCCCCCCCC)N)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)OCCCCCCCCCCCCCCCCC)N)N

InChI

InChI=1S/C60H86N2O4S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-43-65-47-39-41-53(51(61)45-47)67-55-37-33-35-49-57(55)60(64)58-50(59(49)63)36-34-38-56(58)68-54-42-40-48(46-52(54)62)66-44-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-42,45-46H,3-32,43-44,61-62H2,1-2H3