3,7-dioctyl-10-(phenylmethyl)phenothiazine

Systemtic Name: 3,7-dioctyl-10-(phenylmethyl)phenothiazine Openeye Name: 10-benzyl-3,7-dioctyl-phenothiazine CAS Name: 3,7-dioctyl-10-(phenylmethyl)phenothiazine IUPAC Name: 10-benzyl-3,7-dioctylphenothiazine Traditional Name: 10-benzyl-3,7-dioctyl-phenothiazine Formula: C35H47NS MolecularWeight: 513.81938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC2=C(C=C1)N(C3=C(S2)C=C(C=C3)CCCCCCCC)CC4=CC=CC=C4

Isomeric SMILES

CCCCCCCCC1=CC2=C(C=C1)N(C3=C(S2)C=C(C=C3)CCCCCCCC)CC4=CC=CC=C4

InChI

InChI=1S/C35H47NS/c1-3-5-7-9-11-14-18-29-22-24-32-34(26-29)37-35-27-30(19-15-12-10-8-6-4-2)23-25-33(35)36(32)28-31-20-16-13-17-21-31/h13,16-17,20-27H,3-12,14-15,18-19,28H2,1-2H3