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

Systemtic Name: disodium 3-hexadecyl-2-(2-sulfophenoxy)benzenesulfonate Openeye Name: disodium 3-hexadecyl-2-(2-sulfophenoxy)benzenesulfonate CAS Name: disodium 3-hexadecyl-2-(2-sulfophenoxy)benzenesulfonate IUPAC Name: disodium 3-hexadecyl-2-(2-sulfophenoxy)benzenesulfonate Traditional Name: disodium 3-cetyl-2-(2-sulfophenoxy)besylate Formula: C28H41Na2O7S2+ MolecularWeight: 599.73048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C(C(=CC=C1)S(=O)(=O)[O-])OC2=CC=CC=C2S(=O)(=O)O.[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C(C(=CC=C1)S(=O)(=O)[O-])OC2=CC=CC=C2S(=O)(=O)O.[Na+].[Na+]

InChI

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