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2-(3,7-dioctylphenothiazin-10-yl)pentanenitrile

2-(3,7-dioctylphenothiazin-10-yl)pentanenitrile

Systemtic Name:2-(3,7-dioctylphenothiazin-10-yl)pentanenitrile
Openeye Name:2-(3,7-dioctylphenothiazin-10-yl)pentanenitrile
CAS Name:2-(3,7-dioctyl-10-phenothiazinyl)pentanenitrile
IUPAC Name:2-(3,7-dioctylphenothiazin-10-yl)pentanenitrile
Traditional Name:2-(3,7-dioctylphenothiazin-10-yl)valeronitrile
Formula: C33H48N2S
MolecularWeight: 504.81262
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC2=C(C=C1)N(C3=C(S2)C=C(C=C3)CCCCCCCC)C(CCC)C#N


Isomeric SMILES

CCCCCCCCC1=CC2=C(C=C1)N(C3=C(S2)C=C(C=C3)CCCCCCCC)C(CCC)C#N


InChI

InChI=1S/C33H48N2S/c1-4-7-9-11-13-15-18-27-20-22-30-32(24-27)36-33-25-28(19-16-14-12-10-8-5-2)21-23-31(33)35(30)29(26-34)17-6-3/h20-25,29H,4-19H2,1-3H3


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