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2-[4-(dibutylamino)phenoxy]-5-octyl-benzenesulfonic acid

2-[4-(dibutylamino)phenoxy]-5-octyl-benzenesulfonic acid

Systemtic Name:2-[4-(dibutylamino)phenoxy]-5-octyl-benzenesulfonic acid
Openeye Name:2-[4-(dibutylamino)phenoxy]-5-octyl-benzenesulfonic acid
CAS Name:2-[4-(dibutylamino)phenoxy]-5-octylbenzenesulfonic acid
IUPAC Name:2-[4-(dibutylamino)phenoxy]-5-octylbenzenesulfonic acid
Traditional Name:2-[4-(dibutylamino)phenoxy]-5-octyl-besylic acid
Formula: C28H43NO4S
MolecularWeight: 489.71032
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)OC2=CC=C(C=C2)N(CCCC)CCCC)S(=O)(=O)O


Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)OC2=CC=C(C=C2)N(CCCC)CCCC)S(=O)(=O)O


InChI

InChI=1S/C28H43NO4S/c1-4-7-10-11-12-13-14-24-15-20-27(28(23-24)34(30,31)32)33-26-18-16-25(17-19-26)29(21-8-5-2)22-9-6-3/h15-20,23H,4-14,21-22H2,1-3H3,(H,30,31,32)


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