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3-dodecyl-2-tridecyl-benzenesulfonic acid

3-dodecyl-2-tridecyl-benzenesulfonic acid

Systemtic Name:3-dodecyl-2-tridecyl-benzenesulfonic acid
Openeye Name:3-dodecyl-2-tridecyl-benzenesulfonic acid
CAS Name:3-dodecyl-2-tridecylbenzenesulfonic acid
IUPAC Name:3-dodecyl-2-tridecylbenzenesulfonic acid
Traditional Name:3-lauryl-2-tridecyl-besylic acid
Formula: C31H56O3S
MolecularWeight: 508.83954
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=C(C=CC=C1S(=O)(=O)O)CCCCCCCCCCCC


Isomeric SMILES

CCCCCCCCCCCCCC1=C(C=CC=C1S(=O)(=O)O)CCCCCCCCCCCC


InChI

InChI=1S/C31H56O3S/c1-3-5-7-9-11-13-15-17-19-21-23-27-30-29(26-24-28-31(30)35(32,33)34)25-22-20-18-16-14-12-10-8-6-4-2/h24,26,28H,3-23,25,27H2,1-2H3,(H,32,33,34)


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