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2-(decylsulfonylamino)octyl 3-phenylmethoxypropane-1-sulfonate

2-(decylsulfonylamino)octyl 3-phenylmethoxypropane-1-sulfonate

Systemtic Name:2-(decylsulfonylamino)octyl 3-phenylmethoxypropane-1-sulfonate
Openeye Name:2-(decylsulfonylamino)octyl 3-benzyloxypropane-1-sulfonate
CAS Name:3-phenylmethoxy-1-propanesulfonic acid
IUPAC Name:2-(decylsulfonylamino)octyl 3-phenylmethoxypropane-1-sulfonate
Traditional Name:3-benzoxypropane-1-sulfonic acid 2-(decylsulfonylamino)octyl ester
Formula: C28H51NO6S2
MolecularWeight: 561.83764
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCS(=O)(=O)NC(CCCCCC)COS(=O)(=O)CCCOCC1=CC=CC=C1


Isomeric SMILES

CCCCCCCCCCS(=O)(=O)NC(CCCCCC)COS(=O)(=O)CCCOCC1=CC=CC=C1


InChI

InChI=1S/C28H51NO6S2/c1-3-5-7-9-10-11-12-17-23-36(30,31)29-28(21-16-8-6-4-2)26-35-37(32,33)24-18-22-34-25-27-19-14-13-15-20-27/h13-15,19-20,28-29H,3-12,16-18,21-26H2,1-2H3


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