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

Systemtic Name: 1,8-bis[(2-azanyl-4-butyl-phenyl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,8-bis[(2-amino-4-butyl-phenyl)sulfanyl]anthracene-9,10-dione CAS Name: 1,8-bis[(2-amino-4-butylphenyl)thio]anthracene-9,10-dione IUPAC Name: 1,8-bis[(2-amino-4-butylphenyl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,8-bis[(2-amino-4-butyl-phenyl)thio]-9,10-anthraquinone Formula: C34H34N2O2S2 MolecularWeight: 566.77596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)CCCC)N)N

Isomeric SMILES

CCCCC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)CCCC)N)N

InChI

InChI=1S/C34H34N2O2S2/c1-3-5-9-21-15-17-27(25(35)19-21)39-29-13-7-11-23-31(29)34(38)32-24(33(23)37)12-8-14-30(32)40-28-18-16-22(10-6-4-2)20-26(28)36/h7-8,11-20H,3-6,9-10,35-36H2,1-2H3