3,7-dioctyl-10-prop-2-ynyl-phenothiazine

Systemtic Name: 3,7-dioctyl-10-prop-2-ynyl-phenothiazine Openeye Name: 3,7-dioctyl-10-prop-2-ynyl-phenothiazine CAS Name: 3,7-dioctyl-10-prop-2-ynylphenothiazine IUPAC Name: 3,7-dioctyl-10-prop-2-ynylphenothiazine Traditional Name: 3,7-dioctyl-10-propargyl-phenothiazine Formula: C31H43NS MolecularWeight: 461.74482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H43NS/c1-4-7-9-11-13-15-17-26-19-21-28-30(24-26)33-31-25-27(18-16-14-12-10-8-5-2)20-22-29(31)32(28)23-6-3/h3,19-22,24-25H,4-5,7-18,23H2,1-2H3