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

Systemtic Name: 1,8-bis[(2-azanyl-4-tridecyl-phenyl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,8-bis[(2-amino-4-tridecyl-phenyl)sulfanyl]anthracene-9,10-dione CAS Name: 1,8-bis[(2-amino-4-tridecylphenyl)thio]anthracene-9,10-dione IUPAC Name: 1,8-bis[(2-amino-4-tridecylphenyl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,8-bis[(2-amino-4-tridecyl-phenyl)thio]-9,10-anthraquinone Formula: C52H70N2O2S2 MolecularWeight: 819.2544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)CCCCCCCCCCCCC)N)N

Isomeric SMILES

CCCCCCCCCCCCCC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)CCCCCCCCCCCCC)N)N

InChI

InChI=1S/C52H70N2O2S2/c1-3-5-7-9-11-13-15-17-19-21-23-27-39-33-35-45(43(53)37-39)57-47-31-25-29-41-49(47)52(56)50-42(51(41)55)30-26-32-48(50)58-46-36-34-40(38-44(46)54)28-24-22-20-18-16-14-12-10-8-6-4-2/h25-26,29-38H,3-24,27-28,53-54H2,1-2H3