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disodium 2-decyl-3-(2-sulfonatophenoxy)benzenesulfonate

disodium 2-decyl-3-(2-sulfonatophenoxy)benzenesulfonate

Systemtic Name:disodium 2-decyl-3-(2-sulfonatophenoxy)benzenesulfonate
Openeye Name:disodium 2-decyl-3-(2-sulfonatophenoxy)benzenesulfonate
CAS Name:disodium 2-decyl-3-(2-sulfonatophenoxy)benzenesulfonate
IUPAC Name:disodium 2-decyl-3-(2-sulfonatophenoxy)benzenesulfonate
Traditional Name:disodium 2-decyl-3-(2-sulfonatophenoxy)besylate
Formula: C22H28Na2O7S2
MolecularWeight: 514.56306
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=C(C=CC=C1S(=O)(=O)[O-])OC2=CC=CC=C2S(=O)(=O)[O-].[Na+].[Na+]


Isomeric SMILES

CCCCCCCCCCC1=C(C=CC=C1S(=O)(=O)[O-])OC2=CC=CC=C2S(=O)(=O)[O-].[Na+].[Na+]


InChI

InChI=1S/C22H30O7S2.2Na/c1-2-3-4-5-6-7-8-9-13-18-19(15-12-17-21(18)30(23,24)25)29-20-14-10-11-16-22(20)31(26,27)28;;/h10-12,14-17H,2-9,13H2,1H3,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2


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