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(2,7-dibutylphenothiazin-10-yl) propane-1-sulfonate

(2,7-dibutylphenothiazin-10-yl) propane-1-sulfonate

Systemtic Name:(2,7-dibutylphenothiazin-10-yl) propane-1-sulfonate
Openeye Name:(2,7-dibutylphenothiazin-10-yl) propane-1-sulfonate
CAS Name:1-propanesulfonic acid
IUPAC Name:(2,7-dibutylphenothiazin-10-yl) propane-1-sulfonate
Traditional Name:propane-1-sulfonic acid (2,7-dibutylphenothiazin-10-yl) ester
Formula: C23H31NO3S2
MolecularWeight: 433.62714
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)SC3=C(N2OS(=O)(=O)CCC)C=CC(=C3)CCCC


Isomeric SMILES

CCCCC1=CC2=C(C=C1)SC3=C(N2OS(=O)(=O)CCC)C=CC(=C3)CCCC


InChI

InChI=1S/C23H31NO3S2/c1-4-7-9-18-12-14-22-21(16-18)24(27-29(25,26)15-6-3)20-13-11-19(10-8-5-2)17-23(20)28-22/h11-14,16-17H,4-10,15H2,1-3H3


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