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(1,8-dipropylphenoxazin-10-yl) propane-1-sulfonate

(1,8-dipropylphenoxazin-10-yl) propane-1-sulfonate

Systemtic Name:(1,8-dipropylphenoxazin-10-yl) propane-1-sulfonate
Openeye Name:(1,8-dipropylphenoxazin-10-yl) propane-1-sulfonate
CAS Name:1-propanesulfonic acid
IUPAC Name:(1,8-dipropylphenoxazin-10-yl) propane-1-sulfonate
Traditional Name:propane-1-sulfonic acid (1,8-dipropylphenoxazin-10-yl) ester
Formula: C21H27NO4S
MolecularWeight: 389.50838
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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1)OC3=CC=CC(=C3N2OS(=O)(=O)CCC)CCC


Isomeric SMILES

CCCC1=CC2=C(C=C1)OC3=CC=CC(=C3N2OS(=O)(=O)CCC)CCC


InChI

InChI=1S/C21H27NO4S/c1-4-8-16-12-13-19-18(15-16)22(26-27(23,24)14-6-3)21-17(9-5-2)10-7-11-20(21)25-19/h7,10-13,15H,4-6,8-9,14H2,1-3H3


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