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sodium 4-[4-(4-phenylhexan-2-yl)phenoxy]butane-1-sulfonate

sodium 4-[4-(4-phenylhexan-2-yl)phenoxy]butane-1-sulfonate

Systemtic Name:sodium 4-[4-(4-phenylhexan-2-yl)phenoxy]butane-1-sulfonate
Openeye Name:sodium 4-[4-(1-methyl-3-phenyl-pentyl)phenoxy]butane-1-sulfonate
CAS Name:sodium 4-[4-(4-phenylhexan-2-yl)phenoxy]-1-butanesulfonate
IUPAC Name:sodium 4-[4-(4-phenylhexan-2-yl)phenoxy]butane-1-sulfonate
Traditional Name:sodium 4-[4-(1-methyl-3-phenyl-pentyl)phenoxy]butane-1-sulfonate
Formula: C22H29NaO4S
MolecularWeight: 412.51803
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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)C1=CC=C(C=C1)OCCCCS(=O)(=O)[O-])C2=CC=CC=C2.[Na+]


Isomeric SMILES

CCC(CC(C)C1=CC=C(C=C1)OCCCCS(=O)(=O)[O-])C2=CC=CC=C2.[Na+]


InChI

InChI=1S/C22H30O4S.Na/c1-3-19(21-9-5-4-6-10-21)17-18(2)20-11-13-22(14-12-20)26-15-7-8-16-27(23,24)25;/h4-6,9-14,18-19H,3,7-8,15-17H2,1-2H3,(H,23,24,25);/q;+1/p-1


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