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2-butylimino-5-octoxy-3-(phenylmethyl)-1,3-benzothiazole-6-diazonium

2-butylimino-5-octoxy-3-(phenylmethyl)-1,3-benzothiazole-6-diazonium

Systemtic Name:2-butylimino-5-octoxy-3-(phenylmethyl)-1,3-benzothiazole-6-diazonium
Openeye Name:3-benzyl-2-butylimino-5-octoxy-1,3-benzothiazole-6-diazonium
CAS Name:2-butylimino-5-octoxy-3-(phenylmethyl)-1,3-benzothiazole-6-diazonium
IUPAC Name:3-benzyl-2-butylimino-5-octoxy-1,3-benzothiazole-6-diazonium
Traditional Name:3-benzyl-2-butylimino-5-octoxy-1,3-benzothiazole-6-diazonium
Formula: C26H35N4OS+
MolecularWeight: 451.6473
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC2=C(C=C1[N+]#N)SC(=NCCCC)N2CC3=CC=CC=C3


Isomeric SMILES

CCCCCCCCOC1=CC2=C(C=C1[N+]#N)SC(=NCCCC)N2CC3=CC=CC=C3


InChI

InChI=1S/C26H35N4OS/c1-3-5-7-8-9-13-17-31-24-19-23-25(18-22(24)29-27)32-26(28-16-6-4-2)30(23)20-21-14-11-10-12-15-21/h10-12,14-15,18-19H,3-9,13,16-17,20H2,1-2H3/q+1


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