10-hexyl-3,7-bis[2-(10-hexylphenothiazin-3-yl)ethynyl]phenothiazine

Systemtic Name: 10-hexyl-3,7-bis[2-(10-hexylphenothiazin-3-yl)ethynyl]phenothiazine Openeye Name: 10-hexyl-3,7-bis[2-(10-hexylphenothiazin-3-yl)ethynyl]phenothiazine CAS Name: 10-hexyl-3,7-bis[2-(10-hexyl-3-phenothiazinyl)ethynyl]phenothiazine IUPAC Name: 10-hexyl-3,7-bis[2-(10-hexylphenothiazin-3-yl)ethynyl]phenothiazine Traditional Name: 10-hexyl-3,7-bis[2-(10-hexylphenothiazin-3-yl)ethynyl]phenothiazine Formula: C58H59N3S3 MolecularWeight: 894.30416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C=C(C=C2)C#CC3=CC4=C(C=C3)N(C5=CC=CC=C5S4)CCCCCC)SC6=C1C=CC(=C6)C#CC7=CC8=C(C=C7)N(C9=CC=CC=C9S8)CCCCCC

Isomeric SMILES

CCCCCCN1C2=C(C=C(C=C2)C#CC3=CC4=C(C=C3)N(C5=CC=CC=C5S4)CCCCCC)SC6=C1C=CC(=C6)C#CC7=CC8=C(C=C7)N(C9=CC=CC=C9S8)CCCCCC

InChI

InChI=1S/C58H59N3S3/c1-4-7-10-17-36-59-47-20-13-15-22-53(47)62-55-39-43(28-32-49(55)59)24-26-45-30-34-51-57(41-45)64-58-42-46(31-35-52(58)61(51)38-19-12-9-6-3)27-25-44-29-33-50-56(40-44)63-54-23-16-14-21-48(54)60(50)37-18-11-8-5-2/h13-16,20-23,28-35,39-42H,4-12,17-19,36-38H2,1-3H3