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1-(4-hydroxyphenyl)sulfanylicosan-3-ylcarbamic acid

1-(4-hydroxyphenyl)sulfanylicosan-3-ylcarbamic acid

Systemtic Name:1-(4-hydroxyphenyl)sulfanylicosan-3-ylcarbamic acid
Openeye Name:1-[2-(4-hydroxyphenyl)sulfanylethyl]octadecylcarbamic acid
CAS Name:1-[(4-hydroxyphenyl)thio]eicosan-3-ylcarbamic acid
IUPAC Name:1-(4-hydroxyphenyl)sulfanylicosan-3-ylcarbamic acid
Traditional Name:1-[2-[(4-hydroxyphenyl)thio]ethyl]octadecylcarbamic acid
Formula: C27H47NO3S
MolecularWeight: 465.73198
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CCSC1=CC=C(C=C1)O)NC(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CCSC1=CC=C(C=C1)O)NC(=O)O


InChI

InChI=1S/C27H47NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28-27(30)31)22-23-32-26-20-18-25(29)19-21-26/h18-21,24,28-29H,2-17,22-23H2,1H3,(H,30,31)


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