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2-(1,3-benzoxazol-2-ylsulfanyl)-5-octadecyl-benzene-1,4-diol

2-(1,3-benzoxazol-2-ylsulfanyl)-5-octadecyl-benzene-1,4-diol

Systemtic Name:2-(1,3-benzoxazol-2-ylsulfanyl)-5-octadecyl-benzene-1,4-diol
Openeye Name:2-(1,3-benzoxazol-2-ylsulfanyl)-5-octadecyl-benzene-1,4-diol
CAS Name:2-(1,3-benzoxazol-2-ylthio)-5-octadecylbenzene-1,4-diol
IUPAC Name:2-(1,3-benzoxazol-2-ylsulfanyl)-5-octadecylbenzene-1,4-diol
Traditional Name:2-(1,3-benzoxazol-2-ylthio)-5-stearyl-hydroquinone
Formula: C31H45NO3S
MolecularWeight: 511.7589
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC(=C(C=C1O)SC2=NC3=CC=CC=C3O2)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC(=C(C=C1O)SC2=NC3=CC=CC=C3O2)O


InChI

InChI=1S/C31H45NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-23-28(34)30(24-27(25)33)36-31-32-26-21-18-19-22-29(26)35-31/h18-19,21-24,33-34H,2-17,20H2,1H3


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