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

Systemtic Name: 1,8-bis[(2-azanyl-4-nonoxy-phenyl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,8-bis[(2-amino-4-nonoxy-phenyl)sulfanyl]anthracene-9,10-dione CAS Name: 1,8-bis[(2-amino-4-nonoxyphenyl)thio]anthracene-9,10-dione IUPAC Name: 1,8-bis[(2-amino-4-nonoxyphenyl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,8-bis[(2-amino-4-nonoxy-phenyl)thio]-9,10-anthraquinone Formula: C44H54N2O4S2 MolecularWeight: 739.04056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)OCCCCCCCCC)N)N

Isomeric SMILES

CCCCCCCCCOC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)OCCCCCCCCC)N)N

InChI

InChI=1S/C44H54N2O4S2/c1-3-5-7-9-11-13-15-27-49-31-23-25-37(35(45)29-31)51-39-21-17-19-33-41(39)44(48)42-34(43(33)47)20-18-22-40(42)52-38-26-24-32(30-36(38)46)50-28-16-14-12-10-8-6-4-2/h17-26,29-30H,3-16,27-28,45-46H2,1-2H3