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

Systemtic Name: 1,8-bis[(2-azanyl-4-undecoxy-phenyl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,8-bis[(2-amino-4-undecoxy-phenyl)sulfanyl]anthracene-9,10-dione CAS Name: 1,8-bis[(2-amino-4-undecoxyphenyl)thio]anthracene-9,10-dione IUPAC Name: 1,8-bis[(2-amino-4-undecoxyphenyl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,8-bis[(2-amino-4-undecoxy-phenyl)thio]-9,10-anthraquinone Formula: C48H62N2O4S2 MolecularWeight: 795.14688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)OCCCCCCCCCCC)N)N

Isomeric SMILES

CCCCCCCCCCCOC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)OCCCCCCCCCCC)N)N

InChI

InChI=1S/C48H62N2O4S2/c1-3-5-7-9-11-13-15-17-19-31-53-35-27-29-41(39(49)33-35)55-43-25-21-23-37-45(43)48(52)46-38(47(37)51)24-22-26-44(46)56-42-30-28-36(34-40(42)50)54-32-20-18-16-14-12-10-8-6-4-2/h21-30,33-34H,3-20,31-32,49-50H2,1-2H3