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

Systemtic Name: 1,8-bis[(2-azanyl-4-octoxy-phenyl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,8-bis[(2-amino-4-octoxy-phenyl)sulfanyl]anthracene-9,10-dione CAS Name: 1,8-bis[(2-amino-4-octoxyphenyl)thio]anthracene-9,10-dione IUPAC Name: 1,8-bis[(2-amino-4-octoxyphenyl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,8-bis[(2-amino-4-octoxy-phenyl)thio]-9,10-anthraquinone Formula: C42H50N2O4S2 MolecularWeight: 710.9874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)OCCCCCCCC)N)N

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)OCCCCCCCC)N)N

InChI

InChI=1S/C42H50N2O4S2/c1-3-5-7-9-11-13-25-47-29-21-23-35(33(43)27-29)49-37-19-15-17-31-39(37)42(46)40-32(41(31)45)18-16-20-38(40)50-36-24-22-30(28-34(36)44)48-26-14-12-10-8-6-4-2/h15-24,27-28H,3-14,25-26,43-44H2,1-2H3