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

Systemtic Name: disodium 2-hexadecyl-3-(2-sulfonatophenoxy)benzenesulfonate Openeye Name: disodium 2-hexadecyl-3-(2-sulfonatophenoxy)benzenesulfonate CAS Name: disodium 2-hexadecyl-3-(2-sulfonatophenoxy)benzenesulfonate IUPAC Name: disodium 2-hexadecyl-3-(2-sulfonatophenoxy)benzenesulfonate Traditional Name: disodium 2-cetyl-3-(2-sulfonatophenoxy)besylate Formula: C28H40Na2O7S2 MolecularWeight: 598.72254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C(C=CC=C1S(=O)(=O)[O-])OC2=CC=CC=C2S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C(C=CC=C1S(=O)(=O)[O-])OC2=CC=CC=C2S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C28H42O7S2.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24-25(21-18-23-27(24)36(29,30)31)35-26-20-16-17-22-28(26)37(32,33)34;;/h16-18,20-23H,2-15,19H2,1H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2