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

Systemtic Name: 1,8-bis[(2-azanyl-4-octyl-phenyl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,8-bis[(2-amino-4-octyl-phenyl)sulfanyl]anthracene-9,10-dione CAS Name: 1,8-bis[(2-amino-4-octylphenyl)thio]anthracene-9,10-dione IUPAC Name: 1,8-bis[(2-amino-4-octylphenyl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,8-bis[(2-amino-4-octyl-phenyl)thio]-9,10-anthraquinone Formula: C42H50N2O2S2 MolecularWeight: 678.9886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)CCCCCCCC)N)N

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)CCCCCCCC)N)N

InChI

InChI=1S/C42H50N2O2S2/c1-3-5-7-9-11-13-17-29-23-25-35(33(43)27-29)47-37-21-15-19-31-39(37)42(46)40-32(41(31)45)20-16-22-38(40)48-36-26-24-30(28-34(36)44)18-14-12-10-8-6-4-2/h15-16,19-28H,3-14,17-18,43-44H2,1-2H3