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

Systemtic Name: 1,8-bis[(2-azanyl-4-hexyl-phenyl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,8-bis[(2-amino-4-hexyl-phenyl)sulfanyl]anthracene-9,10-dione CAS Name: 1,8-bis[(2-amino-4-hexylphenyl)thio]anthracene-9,10-dione IUPAC Name: 1,8-bis[(2-amino-4-hexylphenyl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,8-bis[(2-amino-4-hexyl-phenyl)thio]-9,10-anthraquinone Formula: C38H42N2O2S2 MolecularWeight: 622.88228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)CCCCCC)N)N

Isomeric SMILES

CCCCCCC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)CCCCCC)N)N

InChI

InChI=1S/C38H42N2O2S2/c1-3-5-7-9-13-25-19-21-31(29(39)23-25)43-33-17-11-15-27-35(33)38(42)36-28(37(27)41)16-12-18-34(36)44-32-22-20-26(24-30(32)40)14-10-8-6-4-2/h11-12,15-24H,3-10,13-14,39-40H2,1-2H3