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

Systemtic Name: 10-hexyl-3-[2-(10-hexylphenothiazin-3-yl)ethynyl]phenothiazine Openeye Name: 10-hexyl-3-[2-(10-hexylphenothiazin-3-yl)ethynyl]phenothiazine CAS Name: 10-hexyl-3-[2-(10-hexyl-3-phenothiazinyl)ethynyl]phenothiazine IUPAC Name: 10-hexyl-3-[2-(10-hexylphenothiazin-3-yl)ethynyl]phenothiazine Traditional Name: 10-hexyl-3-[2-(10-hexylphenothiazin-3-yl)ethynyl]phenothiazine Formula: C38H40N2S2 MolecularWeight: 588.8676

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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=CC=CC=C61

Isomeric SMILES

CCCCCCN1C2=C(C=C(C=C2)C#CC3=CC4=C(C=C3)N(C5=CC=CC=C5S4)CCCCCC)SC6=CC=CC=C61

InChI

InChI=1S/C38H40N2S2/c1-3-5-7-13-25-39-31-15-9-11-17-35(31)41-37-27-29(21-23-33(37)39)19-20-30-22-24-34-38(28-30)42-36-18-12-10-16-32(36)40(34)26-14-8-6-4-2/h9-12,15-18,21-24,27-28H,3-8,13-14,25-26H2,1-2H3