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(1,3,6-tributylphenothiazin-10-yl) propane-1-sulfonate

(1,3,6-tributylphenothiazin-10-yl) propane-1-sulfonate

Systemtic Name:(1,3,6-tributylphenothiazin-10-yl) propane-1-sulfonate
Openeye Name:(1,3,6-tributylphenothiazin-10-yl) propane-1-sulfonate
CAS Name:1-propanesulfonic acid
IUPAC Name:(1,3,6-tributylphenothiazin-10-yl) propane-1-sulfonate
Traditional Name:propane-1-sulfonic acid (1,3,6-tributylphenothiazin-10-yl) ester
Formula: C27H39NO3S2
MolecularWeight: 489.73346
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C(=CC=C1)N(C3=C(C=C(C=C3S2)CCCC)CCCC)OS(=O)(=O)CCC


Isomeric SMILES

CCCCC1=C2C(=CC=C1)N(C3=C(C=C(C=C3S2)CCCC)CCCC)OS(=O)(=O)CCC


InChI

InChI=1S/C27H39NO3S2/c1-5-9-13-21-19-23(15-11-7-3)26-25(20-21)32-27-22(14-10-6-2)16-12-17-24(27)28(26)31-33(29,30)18-8-4/h12,16-17,19-20H,5-11,13-15,18H2,1-4H3


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