3,7-bis(7-bromanyl-10-hexyl-phenothiazin-3-yl)-10-hexyl-phenothiazine

Systemtic Name: 3,7-bis(7-bromanyl-10-hexyl-phenothiazin-3-yl)-10-hexyl-phenothiazine Openeye Name: 3,7-bis(7-bromo-10-hexyl-phenothiazin-3-yl)-10-hexyl-phenothiazine CAS Name: 3,7-bis(7-bromo-10-hexyl-3-phenothiazinyl)-10-hexylphenothiazine IUPAC Name: 3,7-bis(7-bromo-10-hexylphenothiazin-3-yl)-10-hexylphenothiazine Traditional Name: 3,7-bis(7-bromo-10-hexyl-phenothiazin-3-yl)-10-hexyl-phenothiazine Formula: C54H57Br2N3S3 MolecularWeight: 1004.05348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C=C(C=C2)C3=CC4=C(C=C3)N(C5=C(S4)C=C(C=C5)Br)CCCCCC)SC6=C1C=CC(=C6)C7=CC8=C(C=C7)N(C9=C(S8)C=C(C=C9)Br)CCCCCC

Isomeric SMILES

CCCCCCN1C2=C(C=C(C=C2)C3=CC4=C(C=C3)N(C5=C(S4)C=C(C=C5)Br)CCCCCC)SC6=C1C=CC(=C6)C7=CC8=C(C=C7)N(C9=C(S8)C=C(C=C9)Br)CCCCCC

InChI

InChI=1S/C54H57Br2N3S3/c1-4-7-10-13-28-57-43-22-16-37(39-18-24-45-51(33-39)61-53-35-41(55)20-26-47(53)58(45)29-14-11-8-5-2)31-49(43)60-50-32-38(17-23-44(50)57)40-19-25-46-52(34-40)62-54-36-42(56)21-27-48(54)59(46)30-15-12-9-6-3/h16-27,31-36H,4-15,28-30H2,1-3H3