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

Systemtic Name: 1,8-bis[(2-azanyl-4-decyl-phenyl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,8-bis[(2-amino-4-decyl-phenyl)sulfanyl]anthracene-9,10-dione CAS Name: 1,8-bis[(2-amino-4-decylphenyl)thio]anthracene-9,10-dione IUPAC Name: 1,8-bis[(2-amino-4-decylphenyl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,8-bis[(2-amino-4-decyl-phenyl)thio]-9,10-anthraquinone Formula: C46H58N2O2S2 MolecularWeight: 735.09492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)CCCCCCCCCC)N)N

Isomeric SMILES

CCCCCCCCCCC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)CCCCCCCCCC)N)N

InChI

InChI=1S/C46H58N2O2S2/c1-3-5-7-9-11-13-15-17-21-33-27-29-39(37(47)31-33)51-41-25-19-23-35-43(41)46(50)44-36(45(35)49)24-20-26-42(44)52-40-30-28-34(32-38(40)48)22-18-16-14-12-10-8-6-4-2/h19-20,23-32H,3-18,21-22,47-48H2,1-2H3