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2-hexadecyl-3-(2-sulfophenoxy)benzenesulfonic acid

2-hexadecyl-3-(2-sulfophenoxy)benzenesulfonic acid

Systemtic Name:2-hexadecyl-3-(2-sulfophenoxy)benzenesulfonic acid
Openeye Name:2-hexadecyl-3-(2-sulfophenoxy)benzenesulfonic acid
CAS Name:2-hexadecyl-3-(2-sulfophenoxy)benzenesulfonic acid
IUPAC Name:2-hexadecyl-3-(2-sulfophenoxy)benzenesulfonic acid
Traditional Name:2-cetyl-3-(2-sulfophenoxy)besylic acid
Formula: C28H42O7S2
MolecularWeight: 554.75888
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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


Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C(C=CC=C1S(=O)(=O)O)OC2=CC=CC=C2S(=O)(=O)O


InChI

InChI=1S/C28H42O7S2/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)


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