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disodium 2-dodecyl-3-phenoxy-benzenesulfonate

disodium 2-dodecyl-3-phenoxy-benzenesulfonate

Systemtic Name:disodium 2-dodecyl-3-phenoxy-benzenesulfonate
Openeye Name:disodium 2-dodecyl-3-phenoxy-benzenesulfonate
CAS Name:disodium 2-dodecyl-3-phenoxybenzenesulfonate
IUPAC Name:disodium 2-dodecyl-3-phenoxybenzenesulfonate
Traditional Name:disodium 2-lauryl-3-phenoxy-besylate
Formula: C48H66Na2O8S2
MolecularWeight: 881.14238
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C=CC=C1S(=O)(=O)[O-])OC2=CC=CC=C2.CCCCCCCCCCCCC1=C(C=CC=C1S(=O)(=O)[O-])OC2=CC=CC=C2.[Na+].[Na+]


Isomeric SMILES

CCCCCCCCCCCCC1=C(C=CC=C1S(=O)(=O)[O-])OC2=CC=CC=C2.CCCCCCCCCCCCC1=C(C=CC=C1S(=O)(=O)[O-])OC2=CC=CC=C2.[Na+].[Na+]


InChI

InChI=1S/2C24H34O4S.2Na/c2*1-2-3-4-5-6-7-8-9-10-14-18-22-23(28-21-16-12-11-13-17-21)19-15-20-24(22)29(25,26)27;;/h2*11-13,15-17,19-20H,2-10,14,18H2,1H3,(H,25,26,27);;/q;;2*+1/p-2


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