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(1,3,8-tributylphenothiazin-10-yl) propane-1-sulfonate

(1,3,8-tributylphenothiazin-10-yl) propane-1-sulfonate

Systemtic Name:(1,3,8-tributylphenothiazin-10-yl) propane-1-sulfonate
Openeye Name:(1,3,8-tributylphenothiazin-10-yl) propane-1-sulfonate
CAS Name:1-propanesulfonic acid
IUPAC Name:(1,3,8-tributylphenothiazin-10-yl) propane-1-sulfonate
Traditional Name:propane-1-sulfonic acid (1,3,8-tributylphenothiazin-10-yl) ester
Formula: C27H39NO3S2
MolecularWeight: 489.73346
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)SC3=CC(=CC(=C3N2OS(=O)(=O)CCC)CCCC)CCCC


Isomeric SMILES

CCCCC1=CC2=C(C=C1)SC3=CC(=CC(=C3N2OS(=O)(=O)CCC)CCCC)CCCC


InChI

InChI=1S/C27H39NO3S2/c1-5-9-12-21-15-16-25-24(19-21)28(31-33(29,30)17-8-4)27-23(14-11-7-3)18-22(13-10-6-2)20-26(27)32-25/h15-16,18-20H,5-14,17H2,1-4H3


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