[3-(2-ethylhexyl)-5-octoxy-2-phenylimino-1,3-benzothiazol-6-yl]iminoazanium

Systemtic Name: [3-(2-ethylhexyl)-5-octoxy-2-phenylimino-1,3-benzothiazol-6-yl]iminoazanium Openeye Name: [3-(2-ethylhexyl)-5-octoxy-2-phenylimino-1,3-benzothiazol-6-yl]iminoammonium CAS Name: [3-(2-ethylhexyl)-5-octoxy-2-phenylimino-1,3-benzothiazol-6-yl]iminoammonium IUPAC Name: [3-(2-ethylhexyl)-5-octoxy-2-phenylimino-1,3-benzothiazol-6-yl]iminoazanium Traditional Name: [3-(2-ethylhexyl)-5-octoxy-2-phenylimino-1,3-benzothiazol-6-yl]iminoammonium Formula: C29H43N4OS+ MolecularWeight: 495.74292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC2=C(C=C1N=[NH2+])SC(=NC3=CC=CC=C3)N2CC(CC)CCCC

Isomeric SMILES

CCCCCCCCOC1=CC2=C(C=C1N=[NH2+])SC(=NC3=CC=CC=C3)N2CC(CC)CCCC

InChI

InChI=1S/C29H42N4OS/c1-4-7-9-10-11-15-19-34-27-21-26-28(20-25(27)32-30)35-29(31-24-17-13-12-14-18-24)33(26)22-23(6-3)16-8-5-2/h12-14,17-18,20-21,23,30H,4-11,15-16,19,22H2,1-3H3/p+1