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

Systemtic Name: 1,8-bis[(2-azanyl-4-undecyl-phenyl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,8-bis[(2-amino-4-undecyl-phenyl)sulfanyl]anthracene-9,10-dione CAS Name: 1,8-bis[(2-amino-4-undecylphenyl)thio]anthracene-9,10-dione IUPAC Name: 1,8-bis[(2-amino-4-undecylphenyl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,8-bis[(2-amino-4-undecyl-phenyl)thio]-9,10-anthraquinone Formula: C48H62N2O2S2 MolecularWeight: 763.14808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)CCCCCCCCCCC)N)N

Isomeric SMILES

CCCCCCCCCCCC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)CCCCCCCCCCC)N)N

InChI

InChI=1S/C48H62N2O2S2/c1-3-5-7-9-11-13-15-17-19-23-35-29-31-41(39(49)33-35)53-43-27-21-25-37-45(43)48(52)46-38(47(37)51)26-22-28-44(46)54-42-32-30-36(34-40(42)50)24-20-18-16-14-12-10-8-6-4-2/h21-22,25-34H,3-20,23-24,49-50H2,1-2H3