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

Systemtic Name: 1,8-bis[(2-azanyl-4-decoxy-phenyl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,8-bis[(2-amino-4-decoxy-phenyl)sulfanyl]anthracene-9,10-dione CAS Name: 1,8-bis[(2-amino-4-decoxyphenyl)thio]anthracene-9,10-dione IUPAC Name: 1,8-bis[(2-amino-4-decoxyphenyl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,8-bis[(2-amino-4-decoxy-phenyl)thio]-9,10-anthraquinone Formula: C46H58N2O4S2 MolecularWeight: 767.09372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)OCCCCCCCCCC)N)N

Isomeric SMILES

CCCCCCCCCCOC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)OCCCCCCCCCC)N)N

InChI

InChI=1S/C46H58N2O4S2/c1-3-5-7-9-11-13-15-17-29-51-33-25-27-39(37(47)31-33)53-41-23-19-21-35-43(41)46(50)44-36(45(35)49)22-20-24-42(44)54-40-28-26-34(32-38(40)48)52-30-18-16-14-12-10-8-6-4-2/h19-28,31-32H,3-18,29-30,47-48H2,1-2H3