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(1,6,8-tributylphenoxazin-10-yl) propane-1-sulfonate

(1,6,8-tributylphenoxazin-10-yl) propane-1-sulfonate

Systemtic Name:(1,6,8-tributylphenoxazin-10-yl) propane-1-sulfonate
Openeye Name:(1,6,8-tributylphenoxazin-10-yl) propane-1-sulfonate
CAS Name:1-propanesulfonic acid
IUPAC Name:(1,6,8-tributylphenoxazin-10-yl) propane-1-sulfonate
Traditional Name:propane-1-sulfonic acid (1,6,8-tributylphenoxazin-10-yl) ester
Formula: C27H39NO4S
MolecularWeight: 473.66786
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C(=CC=C1)OC3=C(C=C(C=C3N2OS(=O)(=O)CCC)CCCC)CCCC


Isomeric SMILES

CCCCC1=C2C(=CC=C1)OC3=C(C=C(C=C3N2OS(=O)(=O)CCC)CCCC)CCCC


InChI

InChI=1S/C27H39NO4S/c1-5-9-13-21-19-23(15-11-7-3)27-24(20-21)28(32-33(29,30)18-8-4)26-22(14-10-6-2)16-12-17-25(26)31-27/h12,16-17,19-20H,5-11,13-15,18H2,1-4H3


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