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

Systemtic Name: 1,8-bis[(2-azanyl-4-henicosoxy-phenyl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,8-bis[(2-amino-4-henicosoxy-phenyl)sulfanyl]anthracene-9,10-dione CAS Name: 1,8-bis[(2-amino-4-heneicosoxyphenyl)thio]anthracene-9,10-dione IUPAC Name: 1,8-bis[(2-amino-4-henicosoxyphenyl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,8-bis[(2-amino-4-heneicosoxy-phenyl)thio]-9,10-anthraquinone Formula: C68H102N2O4S2 MolecularWeight: 1075.67848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)OCCCCCCCCCCCCCCCCCCCCC)N)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)OCCCCCCCCCCCCCCCCCCCCC)N)N

InChI

InChI=1S/C68H102N2O4S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-51-73-55-47-49-61(59(69)53-55)75-63-45-41-43-57-65(63)68(72)66-58(67(57)71)44-42-46-64(66)76-62-50-48-56(54-60(62)70)74-52-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h41-50,53-54H,3-40,51-52,69-70H2,1-2H3