2,3,4,5,6,7-hexakis-decyl-1,3-benzothiazol-3-ium

Systemtic Name: 2,3,4,5,6,7-hexakis-decyl-1,3-benzothiazol-3-ium Openeye Name: 2,3,4,5,6,7-hexakis-decyl-1,3-benzothiazol-3-ium CAS Name: 2,3,4,5,6,7-hexakis-decyl-1,3-benzothiazol-3-ium IUPAC Name: 2,3,4,5,6,7-hexakis-decyl-1,3-benzothiazol-3-ium Traditional Name: 2,3,4,5,6,7-hexakis-decyl-1,3-benzothiazol-3-ium Formula: C67H126NS+ MolecularWeight: 977.78904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=C(C(=C2C(=C1CCCCCCCCCC)[N+](=C(S2)CCCCCCCCCC)CCCCCCCCCC)CCCCCCCCCC)CCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCC1=C(C(=C2C(=C1CCCCCCCCCC)[N+](=C(S2)CCCCCCCCCC)CCCCCCCCCC)CCCCCCCCCC)CCCCCCCCCC

InChI

InChI=1S/C67H126NS/c1-7-13-19-25-31-37-43-49-55-61-62(56-50-44-38-32-26-20-14-8-2)64(58-52-46-40-34-28-22-16-10-4)67-66(63(61)57-51-45-39-33-27-21-15-9-3)68(60-54-48-42-36-30-24-18-12-6)65(69-67)59-53-47-41-35-29-23-17-11-5/h7-60H2,1-6H3/q+1